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714230-79-2 | Butanamide, N-(5-methyl-1H-pyrazol-3-yl)-
CAS No: 714230-79-2 Catalog No: AG005IR9 MDL No:
Product Description
Catalog Number:
AG005IR9
Chemical Name:
Butanamide, N-(5-methyl-1H-pyrazol-3-yl)-
CAS Number:
714230-79-2
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
IUPAC Name:
N-(5-methyl-1H-pyrazol-3-yl)butanamide
InChI:
InChI=1S/C8H13N3O/c1-3-4-8(12)9-7-5-6(2)10-11-7/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChI Key:
IQYBHMKYFRRQDL-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1n[nH]c(c1)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| 3-Aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 1. Lead finding. | Journal of medicinal chemistry 20040617 |
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