1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide

C11H18N4O4S — CID 75388888

IUPAC1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2(CC)CCC2)c([N+](=O)[O-])n1
InChIInChI=1S/C11H18N4O4S/c1-3-11(6-5-7-11)13-20(18,19)9-8-14(4-2)12-10(9)15(16)17/h8,13H,3-7H2,1-2H3
InChIKeyVUVHBZPCQZDJHN-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.42
Rot. Bonds6

About 1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide

1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide (PubChem CID 75388888) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide
PubChem CID75388888
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2(CC)CCC2)c([N+](=O)[O-])n1
InChIInChI=1S/C11H18N4O4S/c1-3-11(6-5-7-11)13-20(18,19)9-8-14(4-2)12-10(9)15(16)17/h8,13H,3-7H2,1-2H3
InChIKeyVUVHBZPCQZDJHN-UHFFFAOYSA-N
XLogP1.42
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-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-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide (CID 75388888) is 1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2(CC)CCC2)c([N+](=O)[O-])n1.
What is the InChIKey of 1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide?
The InChIKey is VUVHBZPCQZDJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-3-11(6-5-7-11)13-20(18,19)9-8-14(4-2)12-10(9)15(16)17/h8,13H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide?
1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-ethylcyclobutyl)-3-nitropyrazole-4-sulfonamide is sourced from PubChem (CID 75388888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).