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5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS: 352208-55-0

Formula: C19H13N3O2

SMILES: OC(=O)C1=C2N=C(C=C(N2N=C1)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

InChI: InChI=1S/C19H13N3O2/c23-19(24)15-12-20-22-17(14-9-5-2-6-10-14)11-16(21-18(15)22)13-7-3-1-4-8-13/h1-12H,(H,23,24)

Composition: C (72.37%), H (4.16%), N (13.33%), O (10.15%)

Molar Mass: 315.332

Atom Count: 37

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 315.100776671
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NBUWTJDQENNHHB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.81
Topological Polar Surface Area 67.49
Polarizability 36.67
Ring Count 4
Rotatable Bond Count 3

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