5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H15N3O5S — CID 62359993

IUPAC5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NC1CCCCC1O
InChIInChI=1S/C10H15N3O5S/c14-8-4-2-1-3-7(8)13-19(17,18)9-6(10(15)16)5-11-12-9/h5,7-8,13-14H,1-4H2,(H,11,12)(H,15,16)
InChIKeyGTGYMZNXCCBTJJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.31
Rot. Bonds4

About 5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 62359993) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID62359993
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NC1CCCCC1O
InChIInChI=1S/C10H15N3O5S/c14-8-4-2-1-3-7(8)13-19(17,18)9-6(10(15)16)5-11-12-9/h5,7-8,13-14H,1-4H2,(H,11,12)(H,15,16)
InChIKeyGTGYMZNXCCBTJJ-UHFFFAOYSA-N
XLogP-0.31
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 62359993) is 5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NC1CCCCC1O.
What is the InChIKey of 5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is GTGYMZNXCCBTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c14-8-4-2-1-3-7(8)13-19(17,18)9-6(10(15)16)5-11-12-9/h5,7-8,13-14H,1-4H2,(H,11,12)(H,15,16).
What are the key properties of 5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of -0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62359993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).