N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide

C18H23N3O3S — CID 87011398

IUPACN-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cnn1C
InChIInChI=1S/C18H23N3O3S/c1-13-17(12-19-21(13)2)18(22)20-25(23,24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,20,22)
InChIKeyIYHXXZVHKSSMLM-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.89
Rot. Bonds4

About N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide

N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 87011398) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide
PubChem CID87011398
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cnn1C
InChIInChI=1S/C18H23N3O3S/c1-13-17(12-19-21(13)2)18(22)20-25(23,24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,20,22)
InChIKeyIYHXXZVHKSSMLM-UHFFFAOYSA-N
XLogP2.89
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
CID 118725463
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide
CID 118725464
4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34644882
N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 75396959
N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 84593308
N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 92557990
N-benzylsulfonyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 166631048
N-(benzenesulfonyl)-1-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166631283

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide (CID 87011398) is N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cnn1C.
What is the InChIKey of N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is IYHXXZVHKSSMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-17(12-19-21(13)2)18(22)20-25(23,24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,20,22).
What are the key properties of N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide?
N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 87011398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).