3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid

C11H11N3O4S — CID 114599482

IUPAC3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid
SMILESCc1nn(-c2ncccc2S(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C11H11N3O4S/c1-7-8(11(15)16)6-14(13-7)10-9(19(2,17)18)4-3-5-12-10/h3-6H,1-2H3,(H,15,16)
InChIKeyYFRVGODYNOZUMB-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.68
Rot. Bonds3

About 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid

3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid (PubChem CID 114599482) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid
PubChem CID114599482
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid
SMILESCc1nn(-c2ncccc2S(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C11H11N3O4S/c1-7-8(11(15)16)6-14(13-7)10-9(19(2,17)18)4-3-5-12-10/h3-6H,1-2H3,(H,15,16)
InChIKeyYFRVGODYNOZUMB-UHFFFAOYSA-N
XLogP0.68
TPSA102.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine
CID 114600203
3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid
CID 104733305
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide
CID 136971745
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate
CID 67167942
ethyl 1-[3-(acetyloxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate
CID 141294210
2-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 106742544
2-(4,5-dimethylimidazol-1-yl)pyridine-3-carboxylic acid
CID 62351244
2-[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114598312
methyl 1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxylate
CID 114599507
2-methyl-5-[(3-methylsulfonyl-2-pyridinyl)sulfanyl]benzoic acid
CID 114598476

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid (CID 114599482) is 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid is Cc1nn(-c2ncccc2S(C)(=O)=O)cc1C(=O)O.
What is the InChIKey of 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid?
The InChIKey is YFRVGODYNOZUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-7-8(11(15)16)6-14(13-7)10-9(19(2,17)18)4-3-5-12-10/h3-6H,1-2H3,(H,15,16).
What are the key properties of 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid?
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 114599482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).