7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

CAS: 767346-79-2

Formula: C13H9N5

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

IUPAC: 7-amino-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

InChI: InChI=1S/C13H9N5/c14-6-10-7-16-13-11(8-17-18(13)12(10)15)9-4-2-1-3-5-9/h1-5,7-8H,15H2

Composition: C (66.37%), H (3.86%), N (29.77%)

Molar Mass: 235.25

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	235.08579531
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UVIYBZZSTLTNGQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.59
Topological Polar Surface Area	80
Polarizability	26.32
Ring Count	3
Rotatable Bond Count	1

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