5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide

C23H22ClFN4O2 — CID 91628904

IUPAC5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)[nH]n1
InChIInChI=1S/C23H22ClFN4O2/c24-17-7-5-15(6-8-17)13-22(30)29-11-9-16(10-12-29)20-14-21(28-27-20)23(31)26-19-4-2-1-3-18(19)25/h1-8,14,16H,9-13H2,(H,26,31)(H,27,28)
InChIKeyJXLYOELOQSGAHD-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.40
Rot. Bonds5

About 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide

5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 91628904) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID91628904
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC Name5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)[nH]n1
InChIInChI=1S/C23H22ClFN4O2/c24-17-7-5-15(6-8-17)13-22(30)29-11-9-16(10-12-29)20-14-21(28-27-20)23(31)26-19-4-2-1-3-18(19)25/h1-8,14,16H,9-13H2,(H,26,31)(H,27,28)
InChIKeyJXLYOELOQSGAHD-UHFFFAOYSA-N
XLogP4.40
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628898
N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628916
5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 91628921
5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
CID 125016140
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834
5-[1-(4-fluorobenzoyl)pyrrolidin-3-yl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 110265042
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735
1-[2-(4-chlorophenyl)acetyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 113008999
5-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 91816588
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide (CID 91628904) is 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)[nH]n1.
What is the InChIKey of 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JXLYOELOQSGAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c24-17-7-5-15(6-8-17)13-22(30)29-11-9-16(10-12-29)20-14-21(28-27-20)23(31)26-19-4-2-1-3-18(19)25/h1-8,14,16H,9-13H2,(H,26,31)(H,27,28).
What are the key properties of 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 440.91 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).