5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C8H9N5O4S — CID 54934269

IUPAC5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCn1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)O)n1
InChIInChI=1S/C8H9N5O4S/c1-13-3-2-6(11-13)12-18(16,17)7-5(8(14)15)4-9-10-7/h2-4H,1H3,(H,9,10)(H,11,12)(H,14,15)
InChIKeyXVLUITNTKRZVEP-UHFFFAOYSA-N
MW271.26 g/mol
LogP-0.36
Rot. Bonds4

About 5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 54934269) has the molecular formula C8H9N5O4S and a molecular weight of 271.26 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID54934269
Molecular FormulaC8H9N5O4S
Molecular Weight271.26 g/mol
Exact Mass271.04
IUPAC Name5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCn1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)O)n1
InChIInChI=1S/C8H9N5O4S/c1-13-3-2-6(11-13)12-18(16,17)7-5(8(14)15)4-9-10-7/h2-4H,1H3,(H,9,10)(H,11,12)(H,14,15)
InChIKeyXVLUITNTKRZVEP-UHFFFAOYSA-N
XLogP-0.36
TPSA129.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60703802
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81423518
5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912283
5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 79734110
5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61075738
5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933926
5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106415108
5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 66351046
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
5-[(2,3,4-trifluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911015
5-[(4-fluoro-3-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62811098

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 54934269) is 5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is Cn1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)O)n1.
What is the InChIKey of 5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is XVLUITNTKRZVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O4S/c1-13-3-2-6(11-13)12-18(16,17)7-5(8(14)15)4-9-10-7/h2-4H,1H3,(H,9,10)(H,11,12)(H,14,15).
What are the key properties of 5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 271.26 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54934269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).