1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide

C15H18N6O2S — CID 75519495

IUPAC1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c1C
InChIInChI=1S/C15H18N6O2S/c1-4-20-12(3)14(11(2)17-20)24(22,23)19-15-16-10-21(18-15)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyAHOFEKBADIIKQI-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.90
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide (PubChem CID 75519495) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
PubChem CID75519495
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c1C
InChIInChI=1S/C15H18N6O2S/c1-4-20-12(3)14(11(2)17-20)24(22,23)19-15-16-10-21(18-15)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyAHOFEKBADIIKQI-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3,5-dimethyl-N-(1-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide (CID 75519495) is 1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is AHOFEKBADIIKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-4-20-12(3)14(11(2)17-20)24(22,23)19-15-16-10-21(18-15)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of 1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide has a molecular weight of 346.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75519495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).