1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide

C25H26ClF3N4O3S — CID 19394207

IUPAC1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide
SMILESCc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H26ClF3N4O3S/c1-16-23(17(2)33(31-16)15-18-4-3-5-20(14-18)25(27,28)29)30-24(34)19-10-12-32(13-11-19)37(35,36)22-8-6-21(26)7-9-22/h3-9,14,19H,10-13,15H2,1-2H3,(H,30,34)
InChIKeyZFPWASSNJMNSDK-UHFFFAOYSA-N
MW555.02 g/mol
LogP5.26
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide (PubChem CID 19394207) has the molecular formula C25H26ClF3N4O3S and a molecular weight of 555.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide
PubChem CID19394207
Molecular FormulaC25H26ClF3N4O3S
Molecular Weight555.02 g/mol
Exact Mass554.14
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide
SMILESCc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H26ClF3N4O3S/c1-16-23(17(2)33(31-16)15-18-4-3-5-20(14-18)25(27,28)29)30-24(34)19-10-12-32(13-11-19)37(35,36)22-8-6-21(26)7-9-22/h3-9,14,19H,10-13,15H2,1-2H3,(H,30,34)
InChIKeyZFPWASSNJMNSDK-UHFFFAOYSA-N
XLogP5.26
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.02
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide
CID 19341385
1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]piperidine-4-carboxamide
CID 19408250
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503
2-(4-chlorophenoxy)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19394025
N-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26086131
1-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 17183398
3-(2,4-dichlorophenyl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510126
1-(4-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25402530
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclohexanecarboxamide
CID 19405937
4-chloro-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263444
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 19346724
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide (CID 19394207) is 1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide is Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide?
The InChIKey is ZFPWASSNJMNSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClF3N4O3S/c1-16-23(17(2)33(31-16)15-18-4-3-5-20(14-18)25(27,28)29)30-24(34)19-10-12-32(13-11-19)37(35,36)22-8-6-21(26)7-9-22/h3-9,14,19H,10-13,15H2,1-2H3,(H,30,34).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide has a molecular weight of 555.02 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 19394207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).