5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C13H15N3O4S — CID 62314105

IUPAC5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1cccc(CCNS(=O)(=O)c2[nH]ncc2C(=O)O)c1
InChIInChI=1S/C13H15N3O4S/c1-9-3-2-4-10(7-9)5-6-15-21(19,20)12-11(13(17)18)8-14-16-12/h2-4,7-8,15H,5-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyPNCAXMSSJPARFO-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.94
Rot. Bonds6

About 5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 62314105) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID62314105
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1cccc(CCNS(=O)(=O)c2[nH]ncc2C(=O)O)c1
InChIInChI=1S/C13H15N3O4S/c1-9-3-2-4-10(7-9)5-6-15-21(19,20)12-11(13(17)18)8-14-16-12/h2-4,7-8,15H,5-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyPNCAXMSSJPARFO-UHFFFAOYSA-N
XLogP0.94
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911925
5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 61473154
5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60910649
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911407
5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62313553
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 62314105) is 5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is Cc1cccc(CCNS(=O)(=O)c2[nH]ncc2C(=O)O)c1.
What is the InChIKey of 5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is PNCAXMSSJPARFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-9-3-2-4-10(7-9)5-6-15-21(19,20)12-11(13(17)18)8-14-16-12/h2-4,7-8,15H,5-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62314105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).