2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

C12H17N3O4 — CID 113463528

IUPAC2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1c(C2C(C(=O)O)CC(=O)N2C)c(C)nn1C
InChIInChI=1S/C12H17N3O4/c1-6-9(11(19-4)15(3)13-6)10-7(12(17)18)5-8(16)14(10)2/h7,10H,5H2,1-4H3,(H,17,18)
InChIKeySBNYQCWFJTWFMN-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.34
Rot. Bonds3

About 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 113463528) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID113463528
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1c(C2C(C(=O)O)CC(=O)N2C)c(C)nn1C
InChIInChI=1S/C12H17N3O4/c1-6-9(11(19-4)15(3)13-6)10-7(12(17)18)5-8(16)14(10)2/h7,10H,5H2,1-4H3,(H,17,18)
InChIKeySBNYQCWFJTWFMN-UHFFFAOYSA-N
XLogP0.34
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 114938524
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
(2R,3S)-5-oxo-2-phenyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95311589
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95735934
2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 100842100
(2R,3S)-2-(3,4-dichlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 94772115
(2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95750877
(2R)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 98767444
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83095058
(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510159

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 113463528) is 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid is COc1c(C2C(C(=O)O)CC(=O)N2C)c(C)nn1C.
What is the InChIKey of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is SBNYQCWFJTWFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-6-9(11(19-4)15(3)13-6)10-7(12(17)18)5-8(16)14(10)2/h7,10H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 113463528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).