7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 886503-17-9

Formula: C13H9N3O2

SMILES: OC(=O)C1=NN2C(=C1)N=CC=C2C1=CC=CC=C1

IUPAC: 7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C13H9N3O2/c17-13(18)10-8-12-14-7-6-11(16(12)15-10)9-4-2-1-3-5-9/h1-8H,(H,17,18)

Composition: C (65.27%), H (3.79%), N (17.56%), O (13.38%)

Molar Mass: 239.234

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	239.069476542
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PCRKTPKIWRHNRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.67
Topological Polar Surface Area	67.49
Polarizability	25.67
Ring Count	3
Rotatable Bond Count	2

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