N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide

C20H29N3O2S — CID 42284005

IUPACN-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C20H29N3O2S/c1-20(2,3)19-18(15-23(21-19)17-12-8-9-13-17)26(24,25)22(4)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3
InChIKeyOSLHMZIRINHKML-UHFFFAOYSA-N
MW375.54 g/mol
LogP4.12
Rot. Bonds5

About N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide

N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide (PubChem CID 42284005) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide
PubChem CID42284005
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C
InChIInChI=1S/C20H29N3O2S/c1-20(2,3)19-18(15-23(21-19)17-12-8-9-13-17)26(24,25)22(4)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3
InChIKeyOSLHMZIRINHKML-UHFFFAOYSA-N
XLogP4.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-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

Related Compounds

N-benzyl-1-cyclopentyl-N-ethyl-3-methylpyrazole-4-sulfonamide
CID 42282581
N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide
CID 42346901
3-tert-butyl-1-cyclopentyl-N-methyl-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 42284014
3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42284010
3-tert-butyl-1-cyclopentyl-N-(2-ethylphenyl)pyrazole-4-sulfonamide
CID 42284167
N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284077
2-(3-tert-butyl-1-cyclopentylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 42284057
N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 42283150
3-tert-butyl-1-cyclopentyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42284136
3-tert-butyl-1-cyclopentyl-N-(2,3-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284198
3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 42284183
1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42346854

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide (CID 42284005) is N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cn(C2CCCC2)nc1C(C)(C)C.
What is the InChIKey of N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide?
The InChIKey is OSLHMZIRINHKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-20(2,3)19-18(15-23(21-19)17-12-8-9-13-17)26(24,25)22(4)14-16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3.
What are the key properties of N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide?
N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide has a molecular weight of 375.54 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-tert-butyl-1-cyclopentyl-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).