2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone

C12H16F3N3O — CID 2256952

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCCCC1
InChIInChI=1S/C12H16F3N3O/c1-9-7-10(12(13,14)15)16-18(9)8-11(19)17-5-3-2-4-6-17/h7H,2-6,8H2,1H3
InChIKeyZRILNQDGSZOKID-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.22
Rot. Bonds2

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 2256952) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID2256952
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCCCC1
InChIInChI=1S/C12H16F3N3O/c1-9-7-10(12(13,14)15)16-18(9)8-11(19)17-5-3-2-4-6-17/h7H,2-6,8H2,1H3
InChIKeyZRILNQDGSZOKID-UHFFFAOYSA-N
XLogP2.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone 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 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone (CID 2256952) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is ZRILNQDGSZOKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-9-7-10(12(13,14)15)16-18(9)8-11(19)17-5-3-2-4-6-17/h7H,2-6,8H2,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 275.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 2256952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).