7-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS: 1159982-97-4

Formula: C7H3ClN4

SMILES: ClC1=CC=NC2=C(C=NN12)C#N

IUPAC: 7-chloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

InChI: InChI=1S/C7H3ClN4/c8-6-1-2-10-7-5(3-9)4-11-12(6)7/h1-2,4H

Composition: C (47.08%), H (1.69%), Cl (19.85%), N (31.37%)

Molar Mass: 178.58

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	178.0046238
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XXUKSBBIJKPEOT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.3
Topological Polar Surface Area	53.98
Polarizability	16.22
Ring Count	2
Rotatable Bond Count	0

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