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844440-86-4 | 1H-Pyrazole-3-carboxamide, 4-(acetylamino)-N-(4-fluorophenyl)-
CAS No: 844440-86-4 Catalog No: AG004SIX MDL No:
Product Description
Catalog Number:
AG004SIX
Chemical Name:
1H-Pyrazole-3-carboxamide, 4-(acetylamino)-N-(4-fluorophenyl)-
CAS Number:
844440-86-4
Molecular Formula:
C12H11FN4O2
Molecular Weight:
262.2397
IUPAC Name:
4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
InChI:
InChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19)
InChI Key:
CWQKPKYIMQTGJK-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c[nH]nc1C(=O)Nc1ccc(cc1)F
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.244g/mol
Monoisotopic Mass:
262.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design. | Journal of medicinal chemistry 20080828 |
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