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

C12H14N4O4S — CID 114805350

IUPAC5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid
SMILESCCNS(=O)(=O)Nc1c(C(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C12H14N4O4S/c1-2-14-21(19,20)15-11-10(12(17)18)8-13-16(11)9-6-4-3-5-7-9/h3-8,14-15H,2H2,1H3,(H,17,18)
InChIKeyNESXYURSKUBUHY-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.84
Rot. Bonds6

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

5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid (PubChem CID 114805350) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid
PubChem CID114805350
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid
SMILESCCNS(=O)(=O)Nc1c(C(=O)O)cnn1-c1ccccc1
InChIInChI=1S/C12H14N4O4S/c1-2-14-21(19,20)15-11-10(12(17)18)8-13-16(11)9-6-4-3-5-7-9/h3-8,14-15H,2H2,1H3,(H,17,18)
InChIKeyNESXYURSKUBUHY-UHFFFAOYSA-N
XLogP0.84
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805356
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
ethyl 5-[(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 5065328
N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide
CID 91649217
1-(5-amino-1-phenylpyrazol-4-yl)propan-1-one
CID 15112560
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
5-(oxolan-2-ylmethylamino)-1-phenylpyrazole-4-carboxylic acid
CID 141299942
2-(ethylsulfamoyl)benzoic acid
CID 18725198
ethyl 5-(butanoylamino)-1-phenylpyrazole-4-carboxylate
CID 5054602
5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
5-acetamido-2-(ethylsulfamoylamino)benzoic acid
CID 114805338

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid (CID 114805350) is 5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid is CCNS(=O)(=O)Nc1c(C(=O)O)cnn1-c1ccccc1.
What is the InChIKey of 5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is NESXYURSKUBUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-2-14-21(19,20)15-11-10(12(17)18)8-13-16(11)9-6-4-3-5-7-9/h3-8,14-15H,2H2,1H3,(H,17,18).
What are the key properties of 5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid?
5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 310.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoylamino)-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 114805350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).