5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H15N3O4S — CID 106168086

IUPAC5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCC1=CCCC1
InChIInChI=1S/C11H15N3O4S/c15-11(16)9-7-12-14-10(9)19(17,18)13-6-5-8-3-1-2-4-8/h3,7,13H,1-2,4-6H2,(H,12,14)(H,15,16)
InChIKeyDSPZRHSRLQHYCK-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.89
Rot. Bonds6

About 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 106168086) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID106168086
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCC1=CCCC1
InChIInChI=1S/C11H15N3O4S/c15-11(16)9-7-12-14-10(9)19(17,18)13-6-5-8-3-1-2-4-8/h3,7,13H,1-2,4-6H2,(H,12,14)(H,15,16)
InChIKeyDSPZRHSRLQHYCK-UHFFFAOYSA-N
XLogP0.89
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60910649
N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103842248
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 106168048
5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911925
5-(3-cyanopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62665860
5-[(1-hydroxycyclopentyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 65105351
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
N-[2-(cyclopenten-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914971
4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106168071
3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106178584
4-bromo-3-[2-(cyclopenten-1-yl)ethylsulfamoyl]benzoic acid
CID 106168036
5-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106252762

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 106168086) is 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCCC1=CCCC1.
What is the InChIKey of 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is DSPZRHSRLQHYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c15-11(16)9-7-12-14-10(9)19(17,18)13-6-5-8-3-1-2-4-8/h3,7,13H,1-2,4-6H2,(H,12,14)(H,15,16).
What are the key properties of 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 106168086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).