5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid

C13H15N3O4S — CID 43361454

IUPAC5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2c(C(=O)O)cnn2C)cc1
InChIInChI=1S/C13H15N3O4S/c1-3-9-4-6-10(7-5-9)21(19,20)15-12-11(13(17)18)8-14-16(12)2/h4-8,15H,3H2,1-2H3,(H,17,18)
InChIKeyYCECBJIRCOBOPT-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.48
Rot. Bonds5

About 5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid

5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid (PubChem CID 43361454) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
PubChem CID43361454
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2c(C(=O)O)cnn2C)cc1
InChIInChI=1S/C13H15N3O4S/c1-3-9-4-6-10(7-5-9)21(19,20)15-12-11(13(17)18)8-14-16(12)2/h4-8,15H,3H2,1-2H3,(H,17,18)
InChIKeyYCECBJIRCOBOPT-UHFFFAOYSA-N
XLogP1.48
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 21251119
1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
CID 113443879
5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805356
4-ethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25048296
ethyl 5-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-1-methylpyrazole-4-carboxylate
CID 108782504
1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid
CID 28784434
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 106465673
5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805357
1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
CID 110477561
3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260100
5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53056710

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid (CID 43361454) is 5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid is CCc1ccc(S(=O)(=O)Nc2c(C(=O)O)cnn2C)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is YCECBJIRCOBOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-3-9-4-6-10(7-5-9)21(19,20)15-12-11(13(17)18)8-14-16(12)2/h4-8,15H,3H2,1-2H3,(H,17,18).
What are the key properties of 5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43361454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).