3-chloro-5-(3-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-chloro-5-(3-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

CAS: 740837-57-4

Formula: C15H11ClF3N3O

SMILES: COC1=CC=CC(=C1)C1=NC2=C(Cl)C(C)=NN2C(=C1)C(F)(F)F

IUPAC: 3-chloro-5-(3-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

InChI: InChI=1S/C15H11ClF3N3O/c1-8-13(16)14-20-11(9-4-3-5-10(6-9)23-2)7-12(15(17,18)19)22(14)21-8/h3-7H,1-2H3

Composition: C (52.72%), H (3.24%), Cl (10.37%), F (16.68%), N (12.30%), O (4.68%)

Molar Mass: 341.72

Atom Count: 34

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	341.0542742
Formal Charge	0
FSP3	0.2
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HQWXNSULELFKFF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.25
Topological Polar Surface Area	39.42
Polarizability	30.63
Ring Count	3
Rotatable Bond Count	3

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