1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid

C9H13N3O4S — CID 104709610

IUPAC1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCn1nccc1S(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C9H13N3O4S/c1-11-8(2-4-10-11)17(15,16)12-5-3-7(6-12)9(13)14/h2,4,7H,3,5-6H2,1H3,(H,13,14)
InChIKeyZGYMLGSTEKBMNW-UHFFFAOYSA-N
MW259.29 g/mol
LogP-0.48
Rot. Bonds3

About 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid

1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 104709610) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID104709610
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCn1nccc1S(=O)(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C9H13N3O4S/c1-11-8(2-4-10-11)17(15,16)12-5-3-7(6-12)9(13)14/h2,4,7H,3,5-6H2,1H3,(H,13,14)
InChIKeyZGYMLGSTEKBMNW-UHFFFAOYSA-N
XLogP-0.48
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxylic acid
CID 104709718
methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
CID 113444014
3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine
CID 104710309
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708376
[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960765
5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114801854
N-(2-aminoethyl)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxamide
CID 104710243
N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 104710312
N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide
CID 107162716
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one
CID 104709956

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 104709610) is 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid is Cn1nccc1S(=O)(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is ZGYMLGSTEKBMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-11-8(2-4-10-11)17(15,16)12-5-3-7(6-12)9(13)14/h2,4,7H,3,5-6H2,1H3,(H,13,14).
What are the key properties of 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104709610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).