2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-methoxy-pyridin-2-yl)-piperazin-1-yl]-ethanone

HCID 58778037
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Basic information

Standard SMILES
COc1ccnc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C)CC2)c1
InChIKey
QSBXVVOFEOVNCF-UHFFFAOYSA-N
Molecular formula
C17H19ClF3N5O2
Average molar mass
417.8 g/mol
Monoisotopic mass
417.117937

Names & identifiers

Preferred name
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-methoxy-pyridin-2-yl)-piperazin-1-yl]-ethanone
IUPAC
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

Names & synonyms

2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-methoxy-pyridin-2-yl)-piperazin-1-yl]-ethanoneSCHEMBL2874241

Database identifiers

PubChem CID
58778037

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
63.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-methoxy-pyridin-2-yl)-piperazin-1-yl]-ethanone (HCID 58778037)｜Huagongshe