5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C7H8N6O4S — CID 54885257

IUPAC5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C7H8N6O4S/c14-7(15)4-1-9-13-6(4)18(16,17)11-2-5-8-3-10-12-5/h1,3,11H,2H2,(H,9,13)(H,14,15)(H,8,10,12)
InChIKeyHIROVLBBAJWNIG-UHFFFAOYSA-N
MW272.25 g/mol
LogP-1.30
Rot. Bonds5

About 5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 54885257) has the molecular formula C7H8N6O4S and a molecular weight of 272.25 g/mol. Its IUPAC name is 5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID54885257
Molecular FormulaC7H8N6O4S
Molecular Weight272.25 g/mol
Exact Mass272.03
IUPAC Name5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C7H8N6O4S/c14-7(15)4-1-9-13-6(4)18(16,17)11-2-5-8-3-10-12-5/h1,3,11H,2H2,(H,9,13)(H,14,15)(H,8,10,12)
InChIKeyHIROVLBBAJWNIG-UHFFFAOYSA-N
XLogP-1.30
TPSA153.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 106415229
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
5-[(4-cyanophenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60917739
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106415108
5-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115454212
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
4-methyl-3-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748428
2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 81245663
5-(3-cyanopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62665860

Frequently Asked Questions

What is the IUPAC name of 5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 54885257) is 5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of 5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is HIROVLBBAJWNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O4S/c14-7(15)4-1-9-13-6(4)18(16,17)11-2-5-8-3-10-12-5/h1,3,11H,2H2,(H,9,13)(H,14,15)(H,8,10,12).
What are the key properties of 5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 272.25 g/mol, XLogP of -1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54885257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).