1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide

C23H22ClFN4O2 — CID 112805753

IUPAC1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H22ClFN4O2/c1-15-13-21(29(27-15)20-10-8-19(25)9-11-20)26-22(30)17-3-2-12-28(14-17)23(31)16-4-6-18(24)7-5-16/h4-11,13,17H,2-3,12,14H2,1H3,(H,26,30)
InChIKeySITWHOXFMVBGKB-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.46
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 112805753) has the molecular formula C23H22ClFN4O2 and a molecular weight of 440.91 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
PubChem CID112805753
Molecular FormulaC23H22ClFN4O2
Molecular Weight440.91 g/mol
Exact Mass440.14
IUPAC Name1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H22ClFN4O2/c1-15-13-21(29(27-15)20-10-8-19(25)9-11-20)26-22(30)17-3-2-12-28(14-17)23(31)16-4-6-18(24)7-5-16/h4-11,13,17H,2-3,12,14H2,1H3,(H,26,30)
InChIKeySITWHOXFMVBGKB-UHFFFAOYSA-N
XLogP4.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 112819881
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623056
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 78838219
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 112822135
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide (CID 112805753) is 1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
The InChIKey is SITWHOXFMVBGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O2/c1-15-13-21(29(27-15)20-10-8-19(25)9-11-20)26-22(30)17-3-2-12-28(14-17)23(31)16-4-6-18(24)7-5-16/h4-11,13,17H,2-3,12,14H2,1H3,(H,26,30).
What are the key properties of 1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 440.91 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 112805753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).