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

C8H10N6O4S — CID 106281469

IUPAC5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCC(NS(=O)(=O)c1[nH]ncc1C(=O)O)c1ncn[nH]1
InChIInChI=1S/C8H10N6O4S/c1-4(6-9-3-11-12-6)14-19(17,18)7-5(8(15)16)2-10-13-7/h2-4,14H,1H3,(H,10,13)(H,15,16)(H,9,11,12)
InChIKeyCTKKJDZYHGBPLT-UHFFFAOYSA-N
MW286.27 g/mol
LogP-0.73
Rot. Bonds5

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

5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 106281469) has the molecular formula C8H10N6O4S and a molecular weight of 286.27 g/mol. Its IUPAC name is 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID106281469
Molecular FormulaC8H10N6O4S
Molecular Weight286.27 g/mol
Exact Mass286.05
IUPAC Name5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCC(NS(=O)(=O)c1[nH]ncc1C(=O)O)c1ncn[nH]1
InChIInChI=1S/C8H10N6O4S/c1-4(6-9-3-11-12-6)14-19(17,18)7-5(8(15)16)2-10-13-7/h2-4,14H,1H3,(H,10,13)(H,15,16)(H,9,11,12)
InChIKeyCTKKJDZYHGBPLT-UHFFFAOYSA-N
XLogP-0.73
TPSA153.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 103943302
2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281481
3-chloro-4-methyl-5-[[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]sulfamoyl]benzoic acid
CID 100688428
5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62200773
3-amino-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281112
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54885257
5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933933
2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid
CID 104655208
5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912161
5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 81352466
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943314
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943227

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 106281469) is 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is CC(NS(=O)(=O)c1[nH]ncc1C(=O)O)c1ncn[nH]1.
What is the InChIKey of 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is CTKKJDZYHGBPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O4S/c1-4(6-9-3-11-12-6)14-19(17,18)7-5(8(15)16)2-10-13-7/h2-4,14H,1H3,(H,10,13)(H,15,16)(H,9,11,12).
What are the key properties of 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 286.27 g/mol, XLogP of -0.73, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 106281469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).