[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone

C16H22F3N3O — CID 95159138

IUPAC[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)13-5-1-4-12(10-13)15(23)21-8-2-6-14(11-21)22-9-3-7-20-22/h3,7,9,12-14H,1-2,4-6,8,10-11H2/t12-,13+,14-/m1/s1
InChIKeyCHRBXAPSXOPXFP-HZSPNIEDSA-N
MW329.37 g/mol
LogP3.42
Rot. Bonds2

About [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone

[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 95159138) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID95159138
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)13-5-1-4-12(10-13)15(23)21-8-2-6-14(11-21)22-9-3-7-20-22/h3,7,9,12-14H,1-2,4-6,8,10-11H2/t12-,13+,14-/m1/s1
InChIKeyCHRBXAPSXOPXFP-HZSPNIEDSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone (CID 95159138) is [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is CHRBXAPSXOPXFP-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)13-5-1-4-12(10-13)15(23)21-8-2-6-14(11-21)22-9-3-7-20-22/h3,7,9,12-14H,1-2,4-6,8,10-11H2/t12-,13+,14-/m1/s1.
What are the key properties of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone?
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 329.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 95159138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).