2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide

C8H15N3O3S — CID 166655434

IUPAC2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide
SMILESCCCCn1[nH]c(C)c(S(N)(=O)=O)c1=O
InChIInChI=1S/C8H15N3O3S/c1-3-4-5-11-8(12)7(6(2)10-11)15(9,13)14/h10H,3-5H2,1-2H3,(H2,9,13,14)
InChIKeyPZHQYAYQDBSLBT-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.07
Rot. Bonds4

About 2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide

2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide (PubChem CID 166655434) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide
PubChem CID166655434
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide
SMILESCCCCn1[nH]c(C)c(S(N)(=O)=O)c1=O
InChIInChI=1S/C8H15N3O3S/c1-3-4-5-11-8(12)7(6(2)10-11)15(9,13)14/h10H,3-5H2,1-2H3,(H2,9,13,14)
InChIKeyPZHQYAYQDBSLBT-UHFFFAOYSA-N
XLogP-0.07
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-butyl-5-methyl-3-oxo-1H-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 2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide?
The IUPAC name of 2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide (CID 166655434) is 2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide is CCCCn1[nH]c(C)c(S(N)(=O)=O)c1=O.
What is the InChIKey of 2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide?
The InChIKey is PZHQYAYQDBSLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-3-4-5-11-8(12)7(6(2)10-11)15(9,13)14/h10H,3-5H2,1-2H3,(H2,9,13,14).
What are the key properties of 2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide?
2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-3-oxo-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 166655434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).