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320417-27-4 | 7-[4-(1H-imidazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS No: 320417-27-4 Catalog No: AG00INV2 MDL No:MFCD00138887
Product Description
Catalog Number:
AG00INV2
Chemical Name:
7-[4-(1H-imidazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS Number:
320417-27-4
Molecular Formula:
C16H10N6
Molecular Weight:
286.2908
MDL Number:
MFCD00138887
IUPAC Name:
7-(4-imidazol-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C16H10N6/c17-9-13-10-20-22-15(5-6-19-16(13)22)12-1-3-14(4-2-12)21-8-7-18-11-21/h1-8,10-11H
InChI Key:
JVTIZMZQRSBADI-UHFFFAOYSA-N
SMILES:
N#Cc1cnn2c1nccc2c1ccc(cc1)n1cncc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.097g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.298g/mol
Monoisotopic Mass:
286.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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