1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide

C15H18N6O2S — CID 22772134

IUPAC1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide
SMILESCc1ccccc1Cn1cnc(NS(=O)(=O)c2cnn(C)c2C)n1
InChIInChI=1S/C15H18N6O2S/c1-11-6-4-5-7-13(11)9-21-10-16-15(18-21)19-24(22,23)14-8-17-20(3)12(14)2/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKeyDHGJQNBHJVXMPV-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.48
Rot. Bonds5

About 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide

1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide (PubChem CID 22772134) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide
PubChem CID22772134
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide
SMILESCc1ccccc1Cn1cnc(NS(=O)(=O)c2cnn(C)c2C)n1
InChIInChI=1S/C15H18N6O2S/c1-11-6-4-5-7-13(11)9-21-10-16-15(18-21)19-24(22,23)14-8-17-20(3)12(14)2/h4-8,10H,9H2,1-3H3,(H,18,19)
InChIKeyDHGJQNBHJVXMPV-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]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

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22771887
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22771717
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22771690
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022737
N-(1-benzyl-1,2,4-triazol-3-yl)-2,5-dimethylbenzenesulfonamide
CID 4775772
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
CID 46268338
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022679
2-(4-chloropyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19524998
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22202990
1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 17375979

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide (CID 22772134) is 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide is Cc1ccccc1Cn1cnc(NS(=O)(=O)c2cnn(C)c2C)n1.
What is the InChIKey of 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide?
The InChIKey is DHGJQNBHJVXMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-11-6-4-5-7-13(11)9-21-10-16-15(18-21)19-24(22,23)14-8-17-20(3)12(14)2/h4-8,10H,9H2,1-3H3,(H,18,19).
What are the key properties of 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide?
1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide has a molecular weight of 346.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22772134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).