5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide

C11H16F3N3O2S — CID 61275605

IUPAC5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N3O2S/c1-7-10(6-15-16-7)20(18,19)17-9-4-2-3-8(5-9)11(12,13)14/h6,8-9,17H,2-5H2,1H3,(H,15,16)
InChIKeyMRPOQHQTIRKAMV-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.12
Rot. Bonds3

About 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide

5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61275605) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
PubChem CID61275605
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N3O2S/c1-7-10(6-15-16-7)20(18,19)17-9-4-2-3-8(5-9)11(12,13)14/h6,8-9,17H,2-5H2,1H3,(H,15,16)
InChIKeyMRPOQHQTIRKAMV-UHFFFAOYSA-N
XLogP2.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930247
4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 32684915
5-methyl-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 63361565
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 115695681
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747484
5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 60910848
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 129369369
N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248754
5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 61248171
5-amino-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 60809111
5-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)-1H-pyrazole-4-sulfonamide
CID 61273649
N-(2-bromocyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114297377

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (CID 61275605) is 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is MRPOQHQTIRKAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-7-10(6-15-16-7)20(18,19)17-9-4-2-3-8(5-9)11(12,13)14/h6,8-9,17H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).