1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide

C24H27FN4O3S — CID 19408250

IUPAC1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H27FN4O3S/c1-17-23(18(2)29(27-17)16-20-8-6-7-11-22(20)25)26-24(30)19-12-14-28(15-13-19)33(31,32)21-9-4-3-5-10-21/h3-11,19H,12-16H2,1-2H3,(H,26,30)
InChIKeyXBCFJKDKAHUODC-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.73
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 19408250) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide
PubChem CID19408250
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC Name1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide
SMILESCc1nn(Cc2ccccc2F)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H27FN4O3S/c1-17-23(18(2)29(27-17)16-20-8-6-7-11-22(20)25)26-24(30)19-12-14-28(15-13-19)33(31,32)21-9-4-3-5-10-21/h3-11,19H,12-16H2,1-2H3,(H,26,30)
InChIKeyXBCFJKDKAHUODC-UHFFFAOYSA-N
XLogP3.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19408251
1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 19394207
1-(4-chlorophenyl)sulfonyl-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide
CID 19341385
1-(benzenesulfonyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 92535844
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylbenzamide
CID 19408274
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 46294839
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19530270
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 55732866
1-(4-cyanophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 9087861

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide (CID 19408250) is 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide is Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is XBCFJKDKAHUODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-17-23(18(2)29(27-17)16-20-8-6-7-11-22(20)25)26-24(30)19-12-14-28(15-13-19)33(31,32)21-9-4-3-5-10-21/h3-11,19H,12-16H2,1-2H3,(H,26,30).
What are the key properties of 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 19408250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).