1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H20F3N3O3S — CID 11384463

IUPAC1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnn(C3CCCCC3)c2C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O3S/c1-28(26,27)14-9-5-6-12(10-14)23-17(25)15-11-22-24(16(15)18(19,20)21)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,23,25)
InChIKeyMXFOCODSYBFVIE-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.06
Rot. Bonds4

About 1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 11384463) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID11384463
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC Name1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnn(C3CCCCC3)c2C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O3S/c1-28(26,27)14-9-5-6-12(10-14)23-17(25)15-11-22-24(16(15)18(19,20)21)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,23,25)
InChIKeyMXFOCODSYBFVIE-UHFFFAOYSA-N
XLogP4.06
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.06
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
1-ethyl-5-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1013698
N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 118725459
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
1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 138115366
N-[3-(dimethylsulfamoyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 25515448
N,5-dimethyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazole-4-carboxamide
CID 42945851
N-(1,1-dioxothiolan-3-yl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 46589579
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 49725404
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 51128590
N-(benzenesulfonyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166626972

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 11384463) is 1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2cnn(C3CCCCC3)c2C(F)(F)F)c1.
What is the InChIKey of 1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is MXFOCODSYBFVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3S/c1-28(26,27)14-9-5-6-12(10-14)23-17(25)15-11-22-24(16(15)18(19,20)21)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,23,25).
What are the key properties of 1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 11384463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).