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25939-87-1 | PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
CAS No: 25939-87-1 Catalog No: AG002R49 MDL No:MFCD01927799
Product Description
Catalog Number:
AG002R49
Chemical Name:
PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
CAS Number:
25939-87-1
Molecular Formula:
C7H4N4
Molecular Weight:
144.1335
MDL Number:
MFCD01927799
IUPAC Name:
pyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H
InChI Key:
RRHORVAOECWFPT-UHFFFAOYSA-N
SMILES:
N#Cc1cnn2c1nccc2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.137g/mol
Monoisotopic Mass:
144.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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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