7-amino-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-amino-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS: 338394-47-1

Formula: C13H8ClN5

SMILES: NC1=C(C=NC2=C(C=NN12)C#N)C1=CC=C(Cl)C=C1

IUPAC: 7-amino-6-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

InChI: InChI=1S/C13H8ClN5/c14-10-3-1-8(2-4-10)11-7-17-13-9(5-15)6-18-19(13)12(11)16/h1-4,6-7H,16H2

Composition: C (57.90%), H (2.99%), Cl (13.14%), N (25.97%)

Molar Mass: 269.69

Atom Count: 27

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	269.046823
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VTMCCXXROGZXEZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.39
Topological Polar Surface Area	80
Polarizability	28.17
Ring Count	3
Rotatable Bond Count	1

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