4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C10H12N4O4S — CID 43208785

IUPAC4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)n(C)n1
InChIInChI=1S/C10H12N4O4S/c1-6-3-9(14(2)12-6)13-19(17,18)7-4-8(10(15)16)11-5-7/h3-5,11,13H,1-2H3,(H,15,16)
InChIKeyHUVWDMWVVXNTDY-UHFFFAOYSA-N
MW284.30 g/mol
LogP0.56
Rot. Bonds4

About 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43208785) has the molecular formula C10H12N4O4S and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43208785
Molecular FormulaC10H12N4O4S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)n(C)n1
InChIInChI=1S/C10H12N4O4S/c1-6-3-9(14(2)12-6)13-19(17,18)7-4-8(10(15)16)11-5-7/h3-5,11,13H,1-2H3,(H,15,16)
InChIKeyHUVWDMWVVXNTDY-UHFFFAOYSA-N
XLogP0.56
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43208785) is 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)n(C)n1.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is HUVWDMWVVXNTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S/c1-6-3-9(14(2)12-6)13-19(17,18)7-4-8(10(15)16)11-5-7/h3-5,11,13H,1-2H3,(H,15,16).
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 284.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43208785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).