Home Deuterated Building Blocks 10077-96-0
10077-96-0,MFCD00432652
Catalog No.:AA0002RT
10077-96-0 | Carbamic acid, (2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-, methyl ester (9CI)
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
2 weeks  
$1,661.00   $1,163.00
- +
2.5g
2 weeks  
$4,750.00   $3,325.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002RT
Chemical Name:
Carbamic acid, (2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-, methyl ester (9CI)
CAS Number:
10077-96-0
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
MDL Number:
MFCD00432652
IUPAC Name:
methyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
InChI:
InChI=1S/C13H15N3O3/c1-9-11(14-13(18)19-3)12(17)16(15(9)2)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,18)
InChI Key:
PRKKQIFQEAKSAH-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
Properties
Computed Properties
 
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.111g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.281g/mol
Monoisotopic Mass:
261.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Synonyms
 
10077-96-0 
4-Aminoantipyrine N-Carbamic Acid Methyl Ester 
Oprea1_570235 
5-25-14-00106 (Beilstein Handbook Reference) 
MLS000058800 
AC1L488P 
CHEMBL1379422 
CTK3J9245 
DTXSID00143507 
4-(Methoxycarbonylamino)antipyrine 
HMS1540E08 
HMS2392A18 
BRN 0276625 
ZINC136431 
STK734329 
AKOS001021882 
CCG-105450 
MCULE-1336660745 
SDCCGMLS-0020516.P002 
SMR000069066 
ST029398 
LS-128740 
LS-128751 
3-Pyrazoline-4-carbamic acid, 2,3-dimethyl-5-oxo-, methyl ester 
FT-0661576 
SR-01000420194 
J-000220 
SR-01000420194-1 
BRD-K84246244-001-01-7 
Z56754492 
F0300-0167 
A2676/0114002 
methyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate 
2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazoline-4-carbamic Acid Methyl Ester 
4-Carbomethoxyamino-2,3-dimethyl-1-phenylpyrazol-5-one 
N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))methoxycarboxamide 
(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)carbamic Acid Methyl Ester 
methyl N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamate 
Carbamic acid, (2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-, methyl ester (9CI) 
PRKKQIFQEAKSAH-UHFFFAOYSA-N 
CID202291 
C13-H15-N3-O3 
CS-T-01890 
2,3-Dimethyl-5-oxo-3-pyrazoline-4-carbamic acid methyl ester 
methyl (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamate 
Carbamic acid,(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-, methyl ester (9CI) 
TimTec1_002208 
Oprea1_241543 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A