3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide

C19H34N4O2S — CID 42284014

IUPAC3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cn(C3CCCC3)nc2C(C)(C)C)CC1
InChIInChI=1S/C19H34N4O2S/c1-19(2,3)18-17(14-23(20-18)16-8-6-7-9-16)26(24,25)22(5)15-10-12-21(4)13-11-15/h14-16H,6-13H2,1-5H3
InChIKeyIXOKNQBUJMAKKA-UHFFFAOYSA-N
MW382.57 g/mol
LogP3.01
Rot. Bonds4

About 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide

3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide (PubChem CID 42284014) has the molecular formula C19H34N4O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
PubChem CID42284014
Molecular FormulaC19H34N4O2S
Molecular Weight382.57 g/mol
Exact Mass382.24
IUPAC Name3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cn(C3CCCC3)nc2C(C)(C)C)CC1
InChIInChI=1S/C19H34N4O2S/c1-19(2,3)18-17(14-23(20-18)16-8-6-7-9-16)26(24,25)22(5)15-10-12-21(4)13-11-15/h14-16H,6-13H2,1-5H3
InChIKeyIXOKNQBUJMAKKA-UHFFFAOYSA-N
XLogP3.01
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)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 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide (CID 42284014) is 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide is CN1CCC(N(C)S(=O)(=O)c2cn(C3CCCC3)nc2C(C)(C)C)CC1.
What is the InChIKey of 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide?
The InChIKey is IXOKNQBUJMAKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2S/c1-19(2,3)18-17(14-23(20-18)16-8-6-7-9-16)26(24,25)22(5)15-10-12-21(4)13-11-15/h14-16H,6-13H2,1-5H3.
What are the key properties of 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide?
3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide has a molecular weight of 382.57 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42284014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).