5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid

C10H12N4O4S — CID 113483146

IUPAC5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccnn2C)c(C(=O)O)[nH]1
InChIInChI=1S/C10H12N4O4S/c1-6-5-7(9(12-6)10(15)16)13-19(17,18)8-3-4-11-14(8)2/h3-5,12-13H,1-2H3,(H,15,16)
InChIKeyKNFKZXJWNYWXFH-UHFFFAOYSA-N
MW284.30 g/mol
LogP0.56
Rot. Bonds4

About 5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid

5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid (PubChem CID 113483146) has the molecular formula C10H12N4O4S and a molecular weight of 284.30 g/mol. Its IUPAC name is 5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid
PubChem CID113483146
Molecular FormulaC10H12N4O4S
Molecular Weight284.30 g/mol
Exact Mass284.06
IUPAC Name5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccnn2C)c(C(=O)O)[nH]1
InChIInChI=1S/C10H12N4O4S/c1-6-5-7(9(12-6)10(15)16)13-19(17,18)8-3-4-11-14(8)2/h3-5,12-13H,1-2H3,(H,15,16)
InChIKeyKNFKZXJWNYWXFH-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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Related Compounds

3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106314240
2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid
CID 115641165
1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
CID 113443879
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide
CID 115663120
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 107266789
N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrazole-3-sulfonamide
CID 104709410
ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]thiophene-3-carboxylate
CID 104710371
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
CID 104709642
N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
CID 104625509
N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide
CID 115744817
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709797

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid (CID 113483146) is 5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2ccnn2C)c(C(=O)O)[nH]1.
What is the InChIKey of 5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid?
The InChIKey is KNFKZXJWNYWXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S/c1-6-5-7(9(12-6)10(15)16)13-19(17,18)8-3-4-11-14(8)2/h3-5,12-13H,1-2H3,(H,15,16).
What are the key properties of 5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid?
5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-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 5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 113483146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).