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3314-35-0,MFCD00051730
Catalog No.:AA003ISC
3314-35-0 | 3-Amino-4,5-dihydro-1-phenylpyrazole
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5g
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$1,175.00   $823.00
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Technical Information
Catalog Number:
AA003ISC
Chemical Name:
3-Amino-4,5-dihydro-1-phenylpyrazole
CAS Number:
3314-35-0
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
MDL Number:
MFCD00051730
IUPAC Name:
2-phenyl-3,4-dihydropyrazol-5-amine
InChI:
InChI=1S/C9H11N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
InChI Key:
QENUTIJJGGTTPE-UHFFFAOYSA-N
SMILES:
NC1=NN(CC1)c1ccccc1
EC Number:
222-005-9
NSC Number:
162874
Properties
Computed Properties
 
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
3314-35-0 
1-phenyl-4,5-dihydro-1H-pyrazol-3-amine 
3-Amino-1-fenyl-2-pyrazolin 
1-phenyl-3-amino-2-pyrazoline 
1-Fenyl-3-aminopyrazolin [Czech] 
EINECS 222-005-9 
3-Amino-1-fenyl-2-pyrazolin [Czech] 
3-Amino-4,5-dihydro-1H-1-phenylpyrazole 
1H-Pyrazol-3-amine, 4,5-dihydro-1-phenyl- 
QENUTIJJGGTTPE-UHFFFAOYSA-N 
MFCD00051730 
2-phenyl-3,4-dihydropyrazol-5-amine 
3-AMINO-4,5-DIHYDRO-1-PHENYLPYRAZOLE 
1-phenyl-2-pyrazoline-3-ylamine 
1-Fenyl-3-aminopyrazolin [Czech] 
NSC162874 
PubChem22707 
1-phenyl-4,5-dihydro-1h-pyrazol-3-amin 
AC1Q4UCZ 
ACMC-1AD4L 
3-amino-1-phenylpyrazoline 
AC1L40DX 
Cambridge id 5100332 
3-Amino-1-phenyl-2-pyrazoline 
TimTec1_004539 
1-phenyl-3-pyrazolidone imine 
1-Phenyl-2-pyrazolin-3-amine 
SCHEMBL7719905 
SCHEMBL11624814 
CTK4H0015 
WLN: T5NN BUTJ AR& CZ 
DTXSID00186792 
HMS1546O07 
ALBB-006563 
2-Pyrazoline, 3-amino-1-phenyl- 
SBB009983 
STK049557 
ZINC16982849 
1-phenyl-4,5-dihydropyrazol-3-amine 
AKOS000265384 
AKOS015894694 
GL-0919 
MCULE-8659190203 
NSC-162874 
VP20069 
1-Fenyl-3-aminopyrazolin 
KS-00001P92 
AJ-69843 
BAS 02992217 
ST060432 
1H-Pyrazol-3-amine,5-dihydro-1-phenyl- 
AB0218173 
DB-022217 
LS-128729 
TR-041304 
1H-Pyrazol-3-amine,4,5-dihydro-1-phenyl- 
1-Phenyl-4,5-dihydro-1H-pyrazol-3-ylamine 
3-Amino-4,5-dihydro-1-phenyl-1H-pyrazole 
FT-0614962 
W-6377 
AB00073538-01 
3-Amino-4,5-dihydro-1H-1-phenylpyrazole, 97% 
SR-01000512661 
I05-3066 
J-019040 
SR-01000512661-1 
1H-Pyrazol-3-amine, 4,5-dihydro-1-phenyl- (9CI) 
Pyrazolidine, 3-imino-1-phenyl- 
Z57473788 
A1029/0048197 
3-Amino-1-phenylpyrazole 
1-D-prolylpiperidine 
C9H11N3 
CID98736 
AR-1C5279 
C9-H11-N3 
34138-55-1 
4,5-Dihydro-1-phenyl-1H-pyrazol-3-amine 
NSC 162874 
Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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