1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide

C10H12F3N5O2S — CID 71808088

IUPAC1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C10H12F3N5O2S/c1-17-6-9(14-7-17)21(19,20)15-3-5-18-4-2-8(16-18)10(11,12)13/h2,4,6-7,15H,3,5H2,1H3
InChIKeyZFVCPMRYRRDLLK-UHFFFAOYSA-N
MW323.30 g/mol
LogP0.61
Rot. Bonds5

About 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide

1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide (PubChem CID 71808088) has the molecular formula C10H12F3N5O2S and a molecular weight of 323.30 g/mol. Its IUPAC name is 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide
PubChem CID71808088
Molecular FormulaC10H12F3N5O2S
Molecular Weight323.30 g/mol
Exact Mass323.07
IUPAC Name1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C10H12F3N5O2S/c1-17-6-9(14-7-17)21(19,20)15-3-5-18-4-2-8(16-18)10(11,12)13/h2,4,6-7,15H,3,5H2,1H3
InChIKeyZFVCPMRYRRDLLK-UHFFFAOYSA-N
XLogP0.61
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide (CID 71808088) is 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide?
The InChIKey is ZFVCPMRYRRDLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2S/c1-17-6-9(14-7-17)21(19,20)15-3-5-18-4-2-8(16-18)10(11,12)13/h2,4,6-7,15H,3,5H2,1H3.
What are the key properties of 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide?
1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide has a molecular weight of 323.30 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 71808088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).