1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid

C11H15N3O4S — CID 166288029

IUPAC1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
SMILESCCn1nccc1S(=O)(=O)N1CC=CC(C(=O)O)C1
InChIInChI=1S/C11H15N3O4S/c1-2-14-10(5-6-12-14)19(17,18)13-7-3-4-9(8-13)11(15)16/h3-6,9H,2,7-8H2,1H3,(H,15,16)
InChIKeyYGILGLPOAQDPRJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.16
Rot. Bonds4

About 1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid

1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid (PubChem CID 166288029) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
PubChem CID166288029
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
SMILESCCn1nccc1S(=O)(=O)N1CC=CC(C(=O)O)C1
InChIInChI=1S/C11H15N3O4S/c1-2-14-10(5-6-12-14)19(17,18)13-7-3-4-9(8-13)11(15)16/h3-6,9H,2,7-8H2,1H3,(H,15,16)
InChIKeyYGILGLPOAQDPRJ-UHFFFAOYSA-N
XLogP0.16
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpyrazol-3-yl)sulfonyl-5,5-difluoropiperidine-3-carboxylic acid
CID 166267307
3-[1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 72875109
1-(2-ethylpyrazol-3-yl)sulfonyl-1,4-diazepane
CID 120706967
(3aR,9bR)-2-(2-ethylpyrazol-3-yl)sulfonyl-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole-3a-carboxylic acid
CID 72854971
N-[[5-(2-ethylpyrazol-3-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 121499430
5-[4-(2-ethylpyrazol-3-yl)sulfonyl-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 128975147
1-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonyl]-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 167962946
N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97283559
2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
2-ethyl-N,N-dimethylpyrazole-3-sulfonamide
CID 130703242
[1-(2-ethylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 120711614
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 104709610

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid (CID 166288029) is 1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid is CCn1nccc1S(=O)(=O)N1CC=CC(C(=O)O)C1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The InChIKey is YGILGLPOAQDPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-2-14-10(5-6-12-14)19(17,18)13-7-3-4-9(8-13)11(15)16/h3-6,9H,2,7-8H2,1H3,(H,15,16).
What are the key properties of 1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)sulfonyl-3,6-dihydro-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 166288029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).