N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide

C21H20ClFN4O — CID 71842269

IUPACN-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C21H20ClFN4O/c22-19-6-1-2-7-20(19)25-21(28)26-10-8-15(9-11-26)16-13-24-27(14-16)18-5-3-4-17(23)12-18/h1-7,12-15H,8-11H2,(H,25,28)
InChIKeySIWBBKRFKKOSPK-UHFFFAOYSA-N
MW398.87 g/mol
LogP5.08
Rot. Bonds3

About N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide

N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 71842269) has the molecular formula C21H20ClFN4O and a molecular weight of 398.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID71842269
Molecular FormulaC21H20ClFN4O
Molecular Weight398.87 g/mol
Exact Mass398.13
IUPAC NameN-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C21H20ClFN4O/c22-19-6-1-2-7-20(19)25-21(28)26-10-8-15(9-11-26)16-13-24-27(14-16)18-5-3-4-17(23)12-18/h1-7,12-15H,8-11H2,(H,25,28)
InChIKeySIWBBKRFKKOSPK-UHFFFAOYSA-N
XLogP5.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.87
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)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 N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide (CID 71842269) is N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is SIWBBKRFKKOSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O/c22-19-6-1-2-7-20(19)25-21(28)26-10-8-15(9-11-26)16-13-24-27(14-16)18-5-3-4-17(23)12-18/h1-7,12-15H,8-11H2,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide?
N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71842269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).