[5-Cyclopropyl-3-methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazol-4-yl]-[4-((R)-2-hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-methanone

HCID 57555045

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1nn(-c2cccc(C(F)(F)F)c2)c(C2CC2)c1C(=O)N1CCC(N2CCC[C@@H]2CO)CC1
InChIKey: NTEDSJMQZLTKBG-OAQYLSRUSA-N
Molecular formula: C25H31F3N4O2
Average molar mass: 476.5 g/mol
Monoisotopic mass: 476.23991073

Names & identifiers

Preferred name: [5-Cyclopropyl-3-methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazol-4-yl]-[4-((R)-2-hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-methanone
IUPAC: [5-cyclopropyl-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone

Names & synonyms

[5-Cyclopropyl-3-methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazol-4-yl]-[4-((R)-2-hydroxymethyl-pyrrolidin-1-yl)-piperidin-1-yl]-methanoneSCHEMBL2202594

Database identifiers

PubChem CID: 57555045

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 725

Related reactions

1 records

New reaction record

HRID 1012001As productuspto-grants-2011_07

Compound notes

Loading…