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

C15H18N6O2S — CID 138021177

IUPAC1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)Nc1ncnn1C
InChIInChI=1S/C15H18N6O2S/c1-11-14(24(22,23)19-15-16-10-17-20(15)3)12(2)21(18-11)9-13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3,(H,16,17,19)
InChIKeyXTRKZANERYPSID-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.48
Rot. Bonds5

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

1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide (PubChem CID 138021177) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
PubChem CID138021177
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)Nc1ncnn1C
InChIInChI=1S/C15H18N6O2S/c1-11-14(24(22,23)19-15-16-10-17-20(15)3)12(2)21(18-11)9-13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3,(H,16,17,19)
InChIKeyXTRKZANERYPSID-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

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Related Compounds

1-benzyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 58565804
N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203126
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22202446
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22205571
3,5-dimethyl-1-(2-phenylethyl)pyrazole-4-sulfonyl chloride
CID 54929599
1-ethyl-3,5-dimethyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide
CID 75519495
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
1-benzyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 58565573
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
CID 22202436
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylidene]indene-1,3-dione
CID 8855141
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide (CID 138021177) is 1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide is Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)Nc1ncnn1C.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide?
The InChIKey is XTRKZANERYPSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-11-14(24(22,23)19-15-16-10-17-20(15)3)12(2)21(18-11)9-13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3,(H,16,17,19).
What are the key properties of 1-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide?
1-benzyl-3,5-dimethyl-N-(2-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-benzyl-3,5-dimethyl-N-(2-methyl-1,2,4-triazol-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 138021177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).