[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C17H18F3N3O — CID 121021030

IUPAC[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCn1ccc(C2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C17H18F3N3O/c1-22-10-8-15(21-22)12-5-4-9-23(11-12)16(24)13-6-2-3-7-14(13)17(18,19)20/h2-3,6-8,10,12H,4-5,9,11H2,1H3
InChIKeyNKVIZJGKZNRHCR-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.46
Rot. Bonds2

About [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 121021030) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID121021030
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCn1ccc(C2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C17H18F3N3O/c1-22-10-8-15(21-22)12-5-4-9-23(11-12)16(24)13-6-2-3-7-14(13)17(18,19)20/h2-3,6-8,10,12H,4-5,9,11H2,1H3
InChIKeyNKVIZJGKZNRHCR-UHFFFAOYSA-N
XLogP3.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]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 [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 121021030) is [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is Cn1ccc(C2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is NKVIZJGKZNRHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-22-10-8-15(21-22)12-5-4-9-23(11-12)16(24)13-6-2-3-7-14(13)17(18,19)20/h2-3,6-8,10,12H,4-5,9,11H2,1H3.
What are the key properties of [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 337.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 121021030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).