Home Carboxes 1141-70-4
1141-70-4,MFCD01693537
Catalog No.:AA000AID
1141-70-4 | 1-Benzyl-3-methyl-1h-pyrazole-5-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
≥ 99% (HPLC)
in stock  
$80.00   $56.00
- +
1g
98%(HPLC)
in stock  
$154.00   $108.00
- +
5g
98%(HPLC)
in stock  
$613.00   $429.00
- +
10g
98%(HPLC)
in stock  
$1,050.00   $735.00
- +
25g
98%(HPLC)
in stock  
$2,139.00   $1,497.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000AID
Chemical Name:
1-Benzyl-3-methyl-1h-pyrazole-5-carboxylic acid
CAS Number:
1141-70-4
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD01693537
IUPAC Name:
2-benzyl-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-9-7-11(12(15)16)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
InChI Key:
JJADNHRPPVETTB-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C(=O)O)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
1-Benzyl-3-methyl-1H-pyrazole-5-carboxylic acid 
1141-70-4 
CTK0H8484 
DTXSID00150655 
KS-00001PL9 
ZINC6070175 
4666AH 
MFCD01693537 
AKOS022541212 
KS-9062 
LS-128284 
2-benzyl-5-methylpyrazole-3-carboxylic acid 
BRN 0200280 
A-8248 
J-003057 
1-Benzyl-3-methyl-1H-pyrazole-5-carboxylic acid, 97% 
1H-Pyrazole-5-carboxylic acid, 3-methyl-1-(phenylmethyl)- 
C12H12N2O2 
CID121029 
C12-H12-N2-O2 
Pyrazole-5-carboxylic acid, 1-benzyl-3-methyl- 
1-Benzyl-3-methylpyrazole-5-carboxylic acid 
1H-Pyrazole-5-carboxylicacid, 3-methyl-1-(phenylmethyl)- 
AC1L3RYM 
1-Benzyl-3-methyl-5-pyrazolecarboxylic acid 
5-25-04-00121 (Beilstein Handbook Reference) 
SCHEMBL5178107 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A