2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide

C15H23F3N4O — CID 71971060

IUPAC2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCC(C)CC1CCCCN1C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H23F3N4O/c1-11(2)7-13-5-3-4-6-22(13)14(23)20-12-8-19-21(9-12)10-15(16,17)18/h8-9,11,13H,3-7,10H2,1-2H3,(H,20,23)
InChIKeyTVMIWMFVAHNGIV-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.88
Rot. Bonds4

About 2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide

2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 71971060) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID71971060
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCC(C)CC1CCCCN1C(=O)Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H23F3N4O/c1-11(2)7-13-5-3-4-6-22(13)14(23)20-12-8-19-21(9-12)10-15(16,17)18/h8-9,11,13H,3-7,10H2,1-2H3,(H,20,23)
InChIKeyTVMIWMFVAHNGIV-UHFFFAOYSA-N
XLogP3.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide 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-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide (CID 71971060) is 2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide is CC(C)CC1CCCCN1C(=O)Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is TVMIWMFVAHNGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-11(2)7-13-5-3-4-6-22(13)14(23)20-12-8-19-21(9-12)10-15(16,17)18/h8-9,11,13H,3-7,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide?
2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71971060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).