1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide

C12H23N3O2S — CID 102912959

IUPAC1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1cnn(C)c1)C(C)C
InChIInChI=1S/C12H23N3O2S/c1-9(2)12(10(3)4)7-14-18(16,17)11-6-13-15(5)8-11/h6,8-10,12,14H,7H2,1-5H3
InChIKeyNAEGXTVDMWHSIF-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.63
Rot. Bonds6

About 1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide

1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide (PubChem CID 102912959) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide
PubChem CID102912959
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1cnn(C)c1)C(C)C
InChIInChI=1S/C12H23N3O2S/c1-9(2)12(10(3)4)7-14-18(16,17)11-6-13-15(5)8-11/h6,8-10,12,14H,7H2,1-5H3
InChIKeyNAEGXTVDMWHSIF-UHFFFAOYSA-N
XLogP1.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(3-methyl-2-propan-2-ylbutyl)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-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide (CID 102912959) is 1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide is CC(C)C(CNS(=O)(=O)c1cnn(C)c1)C(C)C.
What is the InChIKey of 1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide?
The InChIKey is NAEGXTVDMWHSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-9(2)12(10(3)4)7-14-18(16,17)11-6-13-15(5)8-11/h6,8-10,12,14H,7H2,1-5H3.
What are the key properties of 1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide?
1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 102912959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).