1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide

C13H14F3N3O3S — CID 6465265

IUPAC1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1C
InChIInChI=1S/C13H14F3N3O3S/c1-3-19-9(2)12(8-17-19)23(20,21)18-10-4-6-11(7-5-10)22-13(14,15)16/h4-8,18H,3H2,1-2H3
InChIKeyNZDFDPWPSPZHKQ-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.91
Rot. Bonds5

About 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide

1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide (PubChem CID 6465265) has the molecular formula C13H14F3N3O3S and a molecular weight of 349.33 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
PubChem CID6465265
Molecular FormulaC13H14F3N3O3S
Molecular Weight349.33 g/mol
Exact Mass349.07
IUPAC Name1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1C
InChIInChI=1S/C13H14F3N3O3S/c1-3-19-9(2)12(8-17-19)23(20,21)18-10-4-6-11(7-5-10)22-13(14,15)16/h4-8,18H,3H2,1-2H3
InChIKeyNZDFDPWPSPZHKQ-UHFFFAOYSA-N
XLogP2.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 22203300
N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22773468
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 6471033
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19684585
2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 22204206
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
CID 22202841
1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683642
ethyl 3-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 6465250
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 46982035
1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 71688373

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide (CID 6465265) is 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
The InChIKey is NZDFDPWPSPZHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S/c1-3-19-9(2)12(8-17-19)23(20,21)18-10-4-6-11(7-5-10)22-13(14,15)16/h4-8,18H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide?
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide has a molecular weight of 349.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 6465265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).