Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-7-(2-(trifluoromethyl)phenyl)-, ethyl ester

HCID 3063370

Notes Reactions

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Basic information

CAS: 100588-96-3
Standard SMILES: CCOC(=O)C1=C(C)Nc2ccnn2C1c1ccccc1C(F)(F)F
InChIKey: LYMUZKKXWMHBNS-UHFFFAOYSA-N
Molecular formula: C17H16F3N3O2
Average molar mass: 351.32 g/mol
Monoisotopic mass: 351.11946125

Names & identifiers

Preferred name: Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-7-(2-(trifluoromethyl)phenyl)-, ethyl ester
IUPAC: ethyl 5-methyl-7-[2-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

Names & synonyms

6-Ethoxycarbonyl-5-methyl-7-(2-trifluoromethylphenyl)-4,7-dihydropyrazolo(1,5-a)pyrimidine100588-96-3Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-7-(2-(trifluoromethyl)phenyl)-, ethyl esterRefChem:376230ethyl 5-methyl-7-[2-(trifluoromethyl)phenyl]-1,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylateSCHEMBL10375933DTXSID80905600HHVMBZFCPPXDAX-UHFFFAOYSA-NLYMUZKKXWMHBNS-UHFFFAOYSA-N

Database identifiers

CAS: 100588-96-3
PubChem CID: 3063370
DTXSID: DTXSID80905600

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 56.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 550

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