1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide

C20H31N3O2S2 — CID 42350593

IUPAC1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C20H31N3O2S2/c1-15(2)12-22(13-16(3)4)27(24,25)19-14-23(17-8-5-6-9-17)21-20(19)18-10-7-11-26-18/h7,10-11,14-17H,5-6,8-9,12-13H2,1-4H3
InChIKeyAHJLJWMUCDERGF-UHFFFAOYSA-N
MW409.62 g/mol
LogP5.03
Rot. Bonds8

About 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide

1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350593) has the molecular formula C20H31N3O2S2 and a molecular weight of 409.62 g/mol. Its IUPAC name is 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350593
Molecular FormulaC20H31N3O2S2
Molecular Weight409.62 g/mol
Exact Mass409.19
IUPAC Name1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1cn(C2CCCC2)nc1-c1cccs1
InChIInChI=1S/C20H31N3O2S2/c1-15(2)12-22(13-16(3)4)27(24,25)19-14-23(17-8-5-6-9-17)21-20(19)18-10-7-11-26-18/h7,10-11,14-17H,5-6,8-9,12-13H2,1-4H3
InChIKeyAHJLJWMUCDERGF-UHFFFAOYSA-N
XLogP5.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-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

1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350772
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350976
1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol
CID 42350649
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351188
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350047
1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351136
1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42346854
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
N-cyclohexyl-1-cyclopentyl-3-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42346917
N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351101
N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285372
N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide
CID 42346901

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350593) is 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)c1cn(C2CCCC2)nc1-c1cccs1.
What is the InChIKey of 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is AHJLJWMUCDERGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S2/c1-15(2)12-22(13-16(3)4)27(24,25)19-14-23(17-8-5-6-9-17)21-20(19)18-10-7-11-26-18/h7,10-11,14-17H,5-6,8-9,12-13H2,1-4H3.
What are the key properties of 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 409.62 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).