N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide

C10H19N3O2S — CID 22203636

IUPACN-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C10H19N3O2S/c1-5-6-7-16(14,15)12-10-8(2)11-13(4)9(10)3/h12H,5-7H2,1-4H3
InChIKeyNHAJXZCGZRQBKK-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.58
Rot. Bonds5

About N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide

N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide (PubChem CID 22203636) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide
PubChem CID22203636
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C10H19N3O2S/c1-5-6-7-16(14,15)12-10-8(2)11-13(4)9(10)3/h12H,5-7H2,1-4H3
InChIKeyNHAJXZCGZRQBKK-UHFFFAOYSA-N
XLogP1.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3,5-trimethylpyrazol-4-yl)butane-1-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 N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide (CID 22203636) is N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide?
The InChIKey is NHAJXZCGZRQBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-5-6-7-16(14,15)12-10-8(2)11-13(4)9(10)3/h12H,5-7H2,1-4H3.
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide?
N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 22203636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).