1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide

C10H19N3O2S — CID 166565564

IUPAC1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1ccn(C)n1
InChIInChI=1S/C10H19N3O2S/c1-9(2)5-4-7-11-16(14,15)10-6-8-13(3)12-10/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyKRUPTSZDAPTJCX-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.13
Rot. Bonds6

About 1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide

1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide (PubChem CID 166565564) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide
PubChem CID166565564
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1ccn(C)n1
InChIInChI=1S/C10H19N3O2S/c1-9(2)5-4-7-11-16(14,15)10-6-8-13(3)12-10/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyKRUPTSZDAPTJCX-UHFFFAOYSA-N
XLogP1.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide?
The IUPAC name of 1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide (CID 166565564) is 1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide?
The canonical SMILES for 1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide is CC(C)CCCNS(=O)(=O)c1ccn(C)n1.
What is the InChIKey of 1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide?
The InChIKey is KRUPTSZDAPTJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(2)5-4-7-11-16(14,15)10-6-8-13(3)12-10/h6,8-9,11H,4-5,7H2,1-3H3.
What are the key properties of 1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide?
1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylpentyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 166565564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).