3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide

C14H19N3O2S — CID 4050168

IUPAC3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C14H19N3O2S/c1-10-5-4-6-13(9-10)7-8-15-20(18,19)14-11(2)16-17-12(14)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeySNMNBJFZDKNNMY-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.86
Rot. Bonds5

About 3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 4050168) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID4050168
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C14H19N3O2S/c1-10-5-4-6-13(9-10)7-8-15-20(18,19)14-11(2)16-17-12(14)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeySNMNBJFZDKNNMY-UHFFFAOYSA-N
XLogP1.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide (CID 4050168) is 3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1cccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is SNMNBJFZDKNNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-5-4-6-13(9-10)7-8-15-20(18,19)14-11(2)16-17-12(14)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 4050168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).