5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid

C7H12N4O4S — CID 114805356

IUPAC5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
SMILESCCNS(=O)(=O)Nc1c(C(=O)O)cnn1C
InChIInChI=1S/C7H12N4O4S/c1-3-9-16(14,15)10-6-5(7(12)13)4-8-11(6)2/h4,9-10H,3H2,1-2H3,(H,12,13)
InChIKeyWRXALWOTTXEPME-UHFFFAOYSA-N
MW248.26 g/mol
LogP-0.62
Rot. Bonds5

About 5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid

5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid (PubChem CID 114805356) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
PubChem CID114805356
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC Name5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
SMILESCCNS(=O)(=O)Nc1c(C(=O)O)cnn1C
InChIInChI=1S/C7H12N4O4S/c1-3-9-16(14,15)10-6-5(7(12)13)4-8-11(6)2/h4,9-10H,3H2,1-2H3,(H,12,13)
InChIKeyWRXALWOTTXEPME-UHFFFAOYSA-N
XLogP-0.62
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid
CID 114805350
5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805357
5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 43361454
1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid
CID 28784434
1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
CID 110477561
1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
CID 113443879
5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 21251119
5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 106465673
5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110477668
1-methyl-5-(2,2,2-trifluoroethylsulfamoylamino)pyrazole-4-carbothioamide
CID 114808481
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
5-(2-hydroxypropylamino)-1-methylpyrazole-4-carboxylic acid
CID 69159232

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid (CID 114805356) is 5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid is CCNS(=O)(=O)Nc1c(C(=O)O)cnn1C.
What is the InChIKey of 5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is WRXALWOTTXEPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c1-3-9-16(14,15)10-6-5(7(12)13)4-8-11(6)2/h4,9-10H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid?
5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 114805356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).