1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide

C20H24N6O3S — CID 47087946

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-n3cccn3)CC2)cn1C
InChIInChI=1S/C20H24N6O3S/c1-15-22-19(14-24(15)2)30(28,29)25-12-8-16(9-13-25)20(27)23-17-6-3-4-7-18(17)26-11-5-10-21-26/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,23,27)
InChIKeyYWTAYCAUMUMLGM-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.95
Rot. Bonds5

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide

1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 47087946) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID47087946
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-n3cccn3)CC2)cn1C
InChIInChI=1S/C20H24N6O3S/c1-15-22-19(14-24(15)2)30(28,29)25-12-8-16(9-13-25)20(27)23-17-6-3-4-7-18(17)26-11-5-10-21-26/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,23,27)
InChIKeyYWTAYCAUMUMLGM-UHFFFAOYSA-N
XLogP1.95
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 46332156
ethyl 5-[4-[(2-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 47045209
N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332114
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332130
N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 49320695
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
3-amino-N-(2-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010182
1-(3,5-dimethoxybenzoyl)-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 47045213
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912841
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 86873711
(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol
CID 97239217
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 24686797

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide (CID 47087946) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide is Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3-n3cccn3)CC2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is YWTAYCAUMUMLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-15-22-19(14-24(15)2)30(28,29)25-12-8-16(9-13-25)20(27)23-17-6-3-4-7-18(17)26-11-5-10-21-26/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,23,27).
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 47087946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).