1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide

C15H18N6O2S — CID 95354370

IUPAC1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1ccc(-n2cc(S(=O)(=O)N[C@@H](C)c3nncn3C)cn2)cc1
InChIInChI=1S/C15H18N6O2S/c1-11-4-6-13(7-5-11)21-9-14(8-17-21)24(22,23)19-12(2)15-18-16-10-20(15)3/h4-10,12,19H,1-3H3/t12-/m0/s1
InChIKeyYOCMZEOLSZSXHR-LBPRGKRZSA-N
MW346.42 g/mol
LogP1.35
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide

1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 95354370) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID95354370
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1ccc(-n2cc(S(=O)(=O)N[C@@H](C)c3nncn3C)cn2)cc1
InChIInChI=1S/C15H18N6O2S/c1-11-4-6-13(7-5-11)21-9-14(8-17-21)24(22,23)19-12(2)15-18-16-10-20(15)3/h4-10,12,19H,1-3H3/t12-/m0/s1
InChIKeyYOCMZEOLSZSXHR-LBPRGKRZSA-N
XLogP1.35
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide (CID 95354370) is 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide is Cc1ccc(-n2cc(S(=O)(=O)N[C@@H](C)c3nncn3C)cn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is YOCMZEOLSZSXHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-11-4-6-13(7-5-11)21-9-14(8-17-21)24(22,23)19-12(2)15-18-16-10-20(15)3/h4-10,12,19H,1-3H3/t12-/m0/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide?
1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 346.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 95354370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).