1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide

C13H18N4O2S2 — CID 42282810

IUPAC1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)n1
InChIInChI=1S/C13H18N4O2S2/c1-9-8-20-13(14-9)16-21(18,19)12-7-17(15-10(12)2)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,14,16)
InChIKeyGAQBAJZKIIBGGV-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.87
Rot. Bonds4

About 1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide

1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 42282810) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID42282810
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)n1
InChIInChI=1S/C13H18N4O2S2/c1-9-8-20-13(14-9)16-21(18,19)12-7-17(15-10(12)2)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,14,16)
InChIKeyGAQBAJZKIIBGGV-UHFFFAOYSA-N
XLogP2.87
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide (CID 42282810) is 1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide is Cc1csc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)n1.
What is the InChIKey of 1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is GAQBAJZKIIBGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-9-8-20-13(14-9)16-21(18,19)12-7-17(15-10(12)2)11-5-3-4-6-11/h7-8,11H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42282810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).