1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone

C15H22F3N3O — CID 122633507

IUPAC1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCn2nc(C(F)(F)F)c(C)c2C)CC1
InChIInChI=1S/C15H22F3N3O/c1-10-11(2)21(19-14(10)15(16,17)18)9-6-13-4-7-20(8-5-13)12(3)22/h13H,4-9H2,1-3H3
InChIKeySANHQJMGSNYDHT-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.17
Rot. Bonds3

About 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone

1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone (PubChem CID 122633507) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
PubChem CID122633507
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCn2nc(C(F)(F)F)c(C)c2C)CC1
InChIInChI=1S/C15H22F3N3O/c1-10-11(2)21(19-14(10)15(16,17)18)9-6-13-4-7-20(8-5-13)12(3)22/h13H,4-9H2,1-3H3
InChIKeySANHQJMGSNYDHT-UHFFFAOYSA-N
XLogP3.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone 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 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone (CID 122633507) is 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CCn2nc(C(F)(F)F)c(C)c2C)CC1.
What is the InChIKey of 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is SANHQJMGSNYDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-10-11(2)21(19-14(10)15(16,17)18)9-6-13-4-7-20(8-5-13)12(3)22/h13H,4-9H2,1-3H3.
What are the key properties of 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone?
1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 317.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 122633507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).