3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide

C13H17N3O2S — CID 5201558

IUPAC3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C13H17N3O2S/c1-10-13(11(2)16-15-10)19(17,18)14-9-8-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyYTKOOSFZPYNYAJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.55
Rot. Bonds5

About 3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 5201558) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID5201558
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C13H17N3O2S/c1-10-13(11(2)16-15-10)19(17,18)14-9-8-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyYTKOOSFZPYNYAJ-UHFFFAOYSA-N
XLogP1.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.55
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-phenylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide (CID 5201558) is 3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YTKOOSFZPYNYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-13(11(2)16-15-10)19(17,18)14-9-8-12-6-4-3-5-7-12/h3-7,14H,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.55, 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-phenylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 5201558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).