1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide

C17H24N4O3S — CID 57398254

IUPAC1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H24N4O3S/c1-5-13(6-2)19-17(22)15-11-18-21(4)16(15)20-25(23,24)14-9-7-12(3)8-10-14/h7-11,13,20H,5-6H2,1-4H3,(H,19,22)
InChIKeyOZIJOODQXPEDBJ-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.45
Rot. Bonds7

About 1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide

1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide (PubChem CID 57398254) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
PubChem CID57398254
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H24N4O3S/c1-5-13(6-2)19-17(22)15-11-18-21(4)16(15)20-25(23,24)14-9-7-12(3)8-10-14/h7-11,13,20H,5-6H2,1-4H3,(H,19,22)
InChIKeyOZIJOODQXPEDBJ-UHFFFAOYSA-N
XLogP2.45
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57390867
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-propan-2-ylpyrazole-4-carboxamide
CID 57396213
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-pentan-3-ylpyrazole-4-carboxamide
CID 57396214
N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399909
1-cyclobutyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57401368
1-cyclopentyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 57401369
N-hexan-3-yl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392882
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 57392729
N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392871
N-cyclohexyl-N-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392872
N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57394598
3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
CID 57394706

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide (CID 57398254) is 1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide is CCC(CC)NC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
The InChIKey is OZIJOODQXPEDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-5-13(6-2)19-17(22)15-11-18-21(4)16(15)20-25(23,24)14-9-7-12(3)8-10-14/h7-11,13,20H,5-6H2,1-4H3,(H,19,22).
What are the key properties of 1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 57398254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).