5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS: 62908-85-4

Formula: C8H7N3O2

SMILES: CC1=NC2=C(C=NN2C=C1)C(O)=O

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

InChI: InChI=1S/C8H7N3O2/c1-5-2-3-11-7(10-5)6(4-9-11)8(12)13/h2-4H,1H3,(H,12,13)

Composition: C (54.24%), H (3.98%), N (23.72%), O (18.06%)

Molar Mass: 177.163

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	177.053826477
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CADNVJNUYBVVFU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.62
Topological Polar Surface Area	67.49
Polarizability	16.57
Ring Count	2
Rotatable Bond Count	1

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