N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide

C15H21F3N4O2 — CID 71984820

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)11-3-1-5-21(8-11)14(23)20-12-7-19-22(9-12)10-13-4-2-6-24-13/h7,9,11,13H,1-6,8,10H2,(H,20,23)
InChIKeyBKKGATJTCMJLKP-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.87
Rot. Bonds3

About N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 71984820) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID71984820
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)11-3-1-5-21(8-11)14(23)20-12-7-19-22(9-12)10-13-4-2-6-24-13/h7,9,11,13H,1-6,8,10H2,(H,20,23)
InChIKeyBKKGATJTCMJLKP-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)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 N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 71984820) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide is O=C(Nc1cnn(CC2CCCO2)c1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is BKKGATJTCMJLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c16-15(17,18)11-3-1-5-21(8-11)14(23)20-12-7-19-22(9-12)10-13-4-2-6-24-13/h7,9,11,13H,1-6,8,10H2,(H,20,23).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71984820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).