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13788-84-6 | 1H-Pyrazole, 3-methyl-4-phenyl-
CAS No: 13788-84-6 Catalog No: AG00140I MDL No:MFCD00051752
Product Description
Catalog Number:
AG00140I
Chemical Name:
1H-Pyrazole, 3-methyl-4-phenyl-
CAS Number:
13788-84-6
Molecular Formula:
C10H10N2
Molecular Weight:
158.1998
MDL Number:
MFCD00051752
IUPAC Name:
5-methyl-4-phenyl-1H-pyrazole
InChI:
InChI=1S/C10H10N2/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChI Key:
XTXZCNATVCIKTR-UHFFFAOYSA-N
SMILES:
Cc1n[nH]cc1c1ccccc1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.204g/mol
Monoisotopic Mass:
158.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Identification of inhibitors of protein kinase B using fragment-based lead discovery. | Journal of medicinal chemistry 20070517 |
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