1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide

C25H27N5O3S — CID 55480317

IUPAC1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1
InChIInChI=1S/C25H27N5O3S/c1-17-12-18(2)14-22(13-17)30-24(15-19(3)28-30)27-25(31)20-8-10-29(11-9-20)34(32,33)23-7-5-4-6-21(23)16-26/h4-7,12-15,20H,8-11H2,1-3H3,(H,27,31)
InChIKeyCQKNVLMKXFZNFE-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.71
Rot. Bonds5

About 1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 55480317) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
PubChem CID55480317
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1
InChIInChI=1S/C25H27N5O3S/c1-17-12-18(2)14-22(13-17)30-24(15-19(3)28-30)27-25(31)20-8-10-29(11-9-20)34(32,33)23-7-5-4-6-21(23)16-26/h4-7,12-15,20H,8-11H2,1-3H3,(H,27,31)
InChIKeyCQKNVLMKXFZNFE-UHFFFAOYSA-N
XLogP3.71
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
CID 55414122
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 55481060
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 112805813
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55480734
1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 38092473
1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9092358
1-(benzenesulfonyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 55502873
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
methyl 2-[4-[(2-tert-butyl-5-methylpyrazol-3-yl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55727273
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 78816969

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide (CID 55480317) is 1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide is Cc1cc(C)cc(-n2nc(C)cc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide?
The InChIKey is CQKNVLMKXFZNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-17-12-18(2)14-22(13-17)30-24(15-19(3)28-30)27-25(31)20-8-10-29(11-9-20)34(32,33)23-7-5-4-6-21(23)16-26/h4-7,12-15,20H,8-11H2,1-3H3,(H,27,31).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55480317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).