N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide

C18H23N3O3S — CID 78904587

IUPACN-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)nn1C
InChIInChI=1S/C18H23N3O3S/c1-13-12-17(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)
InChIKeyINBBFSVWLVQVJO-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.89
Rot. Bonds4

About N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide

N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 78904587) 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-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
PubChem CID78904587
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)nn1C
InChIInChI=1S/C18H23N3O3S/c1-13-12-17(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)
InChIKeyINBBFSVWLVQVJO-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-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-4-carboxamide
CID 87011398
4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 24662861
2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113263276
N-(4-cyclohexylphenyl)sulfonyl-5-(methoxymethyl)furan-2-carboxamide
CID 78895807
N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
CID 18629743
N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213157
N'-(4-cyclohexylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980824
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672
1-cyclohexyl-N-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole-5-carboxamide
CID 110166636
2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid
CID 60661371
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 2325885

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide (CID 78904587) is N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)nn1C.
What is the InChIKey of N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is INBBFSVWLVQVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-12-17(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-3-carboxamide?
N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-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-3-carboxamide is sourced from PubChem (CID 78904587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).