1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone

C17H17ClF3N3O — CID 130387978

IUPAC1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCc1cc(C2CCN(C(=O)C(F)(F)F)CC2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H17ClF3N3O/c1-11-10-15(24(22-11)14-4-2-13(18)3-5-14)12-6-8-23(9-7-12)16(25)17(19,20)21/h2-5,10,12H,6-9H2,1H3
InChIKeyPXNUUKRIRIQKLG-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.10
Rot. Bonds2

About 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 130387978) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID130387978
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCc1cc(C2CCN(C(=O)C(F)(F)F)CC2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H17ClF3N3O/c1-11-10-15(24(22-11)14-4-2-13(18)3-5-14)12-6-8-23(9-7-12)16(25)17(19,20)21/h2-5,10,12H,6-9H2,1H3
InChIKeyPXNUUKRIRIQKLG-UHFFFAOYSA-N
XLogP4.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 130388004
tert-butyl 4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 118166974
2,2,2-trifluoro-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130388018
N-(2-chlorophenyl)-4-[5-methyl-2-(4-methylsulfonylphenyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 73349213
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 118182697
[4-[2-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-[(1R,2R,4S)-2-(2,4-difluorophenyl)-4-(dimethylamino)-4-methylcyclopentyl]methanone
CID 72837058
[4-[2-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-[(1R,2S)-2-(2,4-difluorophenyl)-4-(dimethylamino)-4-methylcyclopentyl]methanone
CID 54769303
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-(4-methylphenyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 91810364
[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[4-[2-(4-chloro-3-methylphenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]methanone
CID 70685575
(2R)-1-[4-[2-(3-chlorophenyl)pyrazol-3-yl]piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 118182694
3,3,3-trifluoro-1-[4-[2-(4-fluorophenyl)pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 118167184
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118166849

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone (CID 130387978) is 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone is Cc1cc(C2CCN(C(=O)C(F)(F)F)CC2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is PXNUUKRIRIQKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-11-10-15(24(22-11)14-4-2-13(18)3-5-14)12-6-8-23(9-7-12)16(25)17(19,20)21/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 371.79 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 130387978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).