5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H12N4O4S — CID 106415108

IUPAC5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCn1cccc1CNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H12N4O4S/c1-14-4-2-3-7(14)5-12-19(17,18)9-8(10(15)16)6-11-13-9/h2-4,6,12H,5H2,1H3,(H,11,13)(H,15,16)
InChIKeyCUGQYWIAAIZKOK-UHFFFAOYSA-N
MW284.30 g/mol
LogP-0.08
Rot. Bonds5

About 5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 106415108) has the molecular formula C10H12N4O4S and a molecular weight of 284.30 g/mol. Its IUPAC name is 5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID106415108
Molecular FormulaC10H12N4O4S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC Name5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCn1cccc1CNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H12N4O4S/c1-14-4-2-3-7(14)5-12-19(17,18)9-8(10(15)16)6-11-13-9/h2-4,6,12H,5H2,1H3,(H,11,13)(H,15,16)
InChIKeyCUGQYWIAAIZKOK-UHFFFAOYSA-N
XLogP-0.08
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103710703
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911407
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54885257
5-(1,2-oxazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 106415229
5-[(4-cyanophenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60917739
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934269
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
4-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710698
4-chloro-3-[(1-methylpyrrol-2-yl)methylsulfamoyl]benzoic acid
CID 106415051

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 106415108) is 5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is Cn1cccc1CNS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is CUGQYWIAAIZKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S/c1-14-4-2-3-7(14)5-12-19(17,18)9-8(10(15)16)6-11-13-9/h2-4,6,12H,5H2,1H3,(H,11,13)(H,15,16).
What are the key properties of 5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 284.30 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 106415108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).