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

C12H18F3N3O2S — CID 60715081

IUPAC3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3O2S/c1-7-11(8(2)17-16-7)21(19,20)18-10-5-3-4-9(6-10)12(13,14)15/h9-10,18H,3-6H2,1-2H3,(H,16,17)
InChIKeySJPGESWXLRVLAW-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.43
Rot. Bonds3

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

3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60715081) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
PubChem CID60715081
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC Name3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3O2S/c1-7-11(8(2)17-16-7)21(19,20)18-10-5-3-4-9(6-10)12(13,14)15/h9-10,18H,3-6H2,1-2H3,(H,16,17)
InChIKeySJPGESWXLRVLAW-UHFFFAOYSA-N
XLogP2.43
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-methylpiperidine
CID 4368065
3,5-dimethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 79886551
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 3331839
3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 43244696
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine
CID 60700130
3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 60722124
3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 60722153
N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60890283
N-(1-cyclopropylethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959108
3,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959936
3,5-dimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959938
3,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60960289

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide (CID 60715081) is 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is SJPGESWXLRVLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-7-11(8(2)17-16-7)21(19,20)18-10-5-3-4-9(6-10)12(13,14)15/h9-10,18H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60715081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).