2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide

C11H21N3O3S — CID 166565562

IUPAC2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide
SMILESCOCn1nccc1S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C11H21N3O3S/c1-10(2)5-4-7-13-18(15,16)11-6-8-12-14(11)9-17-3/h6,8,10,13H,4-5,7,9H2,1-3H3
InChIKeyNNPGMYHBVFPYGD-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.20
Rot. Bonds8

About 2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide

2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide (PubChem CID 166565562) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide
PubChem CID166565562
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide
SMILESCOCn1nccc1S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C11H21N3O3S/c1-10(2)5-4-7-13-18(15,16)11-6-8-12-14(11)9-17-3/h6,8,10,13H,4-5,7,9H2,1-3H3
InChIKeyNNPGMYHBVFPYGD-UHFFFAOYSA-N
XLogP1.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-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-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide (CID 166565562) is 2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide is COCn1nccc1S(=O)(=O)NCCCC(C)C.
What is the InChIKey of 2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide?
The InChIKey is NNPGMYHBVFPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-10(2)5-4-7-13-18(15,16)11-6-8-12-14(11)9-17-3/h6,8,10,13H,4-5,7,9H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide?
2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(4-methylpentyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 166565562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).