5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 354542-40-8

Formula: C16H15N3O3

SMILES: CCOC1=CC=C(C=C1)C1=NC2=CC(=NN2C(C)=C1)C(O)=O

IUPAC: 5-(4-ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C16H15N3O3/c1-3-22-12-6-4-11(5-7-12)13-8-10(2)19-15(17-13)9-14(18-19)16(20)21/h4-9H,3H2,1-2H3,(H,20,21)

Composition: C (64.64%), H (5.09%), N (14.13%), O (16.14%)

Molar Mass: 297.314

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	297.111341355
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	LRWXFSDZTUFHKX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.78
Topological Polar Surface Area	76.72
Polarizability	31.79
Ring Count	3
Rotatable Bond Count	4

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