5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide

C9H18N4O2S — CID 60808130

IUPAC5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H18N4O2S/c1-4-7(2)6-13(3)16(14,15)8-5-11-12-9(8)10/h5,7H,4,6H2,1-3H3,(H3,10,11,12)
InChIKeyOMDDQXTYWYKYSA-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.66
Rot. Bonds5

About 5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide

5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60808130) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
PubChem CID60808130
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H18N4O2S/c1-4-7(2)6-13(3)16(14,15)8-5-11-12-9(8)10/h5,7H,4,6H2,1-3H3,(H3,10,11,12)
InChIKeyOMDDQXTYWYKYSA-UHFFFAOYSA-N
XLogP0.66
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-methyl-N-(2-methylbutyl)-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 5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide (CID 60808130) is 5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide is CCC(C)CN(C)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is OMDDQXTYWYKYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-4-7(2)6-13(3)16(14,15)8-5-11-12-9(8)10/h5,7H,4,6H2,1-3H3,(H3,10,11,12).
What are the key properties of 5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60808130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).