N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C23H25FN4O3S — CID 112805813

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H25FN4O3S/c1-16-3-9-21(10-4-16)32(30,31)27-13-11-18(12-14-27)23(29)25-22-15-17(2)26-28(22)20-7-5-19(24)6-8-20/h3-10,15,18H,11-14H2,1-2H3,(H,25,29)
InChIKeyUSVHFGNLHIZXDN-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.67
Rot. Bonds5

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

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 112805813) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID112805813
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H25FN4O3S/c1-16-3-9-21(10-4-16)32(30,31)27-13-11-18(12-14-27)23(29)25-22-15-17(2)26-28(22)20-7-5-19(24)6-8-20/h3-10,15,18H,11-14H2,1-2H3,(H,25,29)
InChIKeyUSVHFGNLHIZXDN-UHFFFAOYSA-N
XLogP3.67
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 112822135
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 112819881
1-(benzenesulfonyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 55502873
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55480734
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 112805705
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
CID 55601726
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831705
1-(benzenesulfonyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]piperidine-3-carboxamide
CID 55668421
1-(4-methylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 1077687

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 112805813) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is USVHFGNLHIZXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-16-3-9-21(10-4-16)32(30,31)27-13-11-18(12-14-27)23(29)25-22-15-17(2)26-28(22)20-7-5-19(24)6-8-20/h3-10,15,18H,11-14H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 112805813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).