methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate

C10H15N3O5S — CID 113444025

IUPACmethyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1S(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H15N3O5S/c1-12-9(3-4-11-12)19(16,17)13-6-7(14)5-8(13)10(15)18-2/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyZBTICFRXEPXCEO-UHFFFAOYSA-N
MW289.31 g/mol
LogP-1.28
Rot. Bonds3

About methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 113444025) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate
PubChem CID113444025
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Namemethyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1S(=O)(=O)c1ccnn1C
InChIInChI=1S/C10H15N3O5S/c1-12-9(3-4-11-12)19(16,17)13-6-7(14)5-8(13)10(15)18-2/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyZBTICFRXEPXCEO-UHFFFAOYSA-N
XLogP-1.28
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 54043412
(3S,5S)-5-(3,4-difluorophenyl)-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-ol
CID 100696306
methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
CID 113444014
methyl 4-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 115971421
methyl (2R,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 7987004
methyl 1-(2-chloro-4-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971447
methyl 1-(4-chloro-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate
CID 115576360
methyl 4-hydroxy-1-propan-2-ylsulfonylpyrrolidine-2-carboxylate
CID 112632626
methyl 1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971433
methyl 4-hydroxy-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine-2-carboxylate
CID 115971436
3-chloro-8-(2-methylpyrazol-3-yl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 104710554
methyl 4-hydroxy-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylate
CID 112632641

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate (CID 113444025) is methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1S(=O)(=O)c1ccnn1C.
What is the InChIKey of methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is ZBTICFRXEPXCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-12-9(3-4-11-12)19(16,17)13-6-7(14)5-8(13)10(15)18-2/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 289.31 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 113444025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).