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5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 329212-64-8

Formula: C14H6Cl2F3N3O2

SMILES: OC(=O)C1=NN2C(=C1)N=C(C=C2C(F)(F)F)C1=CC=C(Cl)C(Cl)=C1

IUPAC: 5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C14H6Cl2F3N3O2/c15-7-2-1-6(3-8(7)16)9-4-11(14(17,18)19)22-12(20-9)5-10(21-22)13(23)24/h1-5H,(H,23,24)

Composition: C (44.71%), H (1.61%), Cl (18.85%), F (15.15%), N (11.17%), O (8.51%)

Molar Mass: 376.12

Atom Count: 30

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 374.9789163
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LVEXBYVBMOIMAU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.88
Topological Polar Surface Area 67.49
Polarizability 30.79
Ring Count 3
Rotatable Bond Count 3

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