N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C13H22N4O3S — CID 114551581

IUPACN-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CCC(C)(C)C2)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-4-9-11(21(14,19)20)10(17-16-9)12(18)15-8-5-6-13(2,3)7-8/h8H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyWJIMTQPSIGISBR-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.93
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 114551581) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID114551581
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CCC(C)(C)C2)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-4-9-11(21(14,19)20)10(17-16-9)12(18)15-8-5-6-13(2,3)7-8/h8H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyWJIMTQPSIGISBR-UHFFFAOYSA-N
XLogP0.93
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 114551581) is N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC2CCC(C)(C)C2)c1S(N)(=O)=O.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is WJIMTQPSIGISBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-9-11(21(14,19)20)10(17-16-9)12(18)15-8-5-6-13(2,3)7-8/h8H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 114551581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).