(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid

C12H17N3O3 — CID 122155895

IUPAC(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1cnn(C)c1C
InChIInChI=1S/C12H17N3O3/c1-4-15-10(16)5-8(12(17)18)11(15)9-6-13-14(3)7(9)2/h6,8,11H,4-5H2,1-3H3,(H,17,18)/t8-,11-/m0/s1
InChIKeyHJRHSOKYQYJCOZ-KWQFWETISA-N
MW251.29 g/mol
LogP0.72
Rot. Bonds3

About (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid

(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 122155895) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID122155895
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1cnn(C)c1C
InChIInChI=1S/C12H17N3O3/c1-4-15-10(16)5-8(12(17)18)11(15)9-6-13-14(3)7(9)2/h6,8,11H,4-5H2,1-3H3,(H,17,18)/t8-,11-/m0/s1
InChIKeyHJRHSOKYQYJCOZ-KWQFWETISA-N
XLogP0.72
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid 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

2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 79584605
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
4-(aminomethyl)-5-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 122360290
2-(6-methyl-3-pyridinyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 104823672
(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510189
2-(2-cyanophenyl)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 107936794
2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83095058
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 16765282
(2R,3S)-5-oxo-2-phenyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95311589
(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82397843

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid (CID 122155895) is (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid is CCN1C(=O)C[C@H](C(=O)O)[C@H]1c1cnn(C)c1C.
What is the InChIKey of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is HJRHSOKYQYJCOZ-KWQFWETISA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-15-10(16)5-8(12(17)18)11(15)9-6-13-14(3)7(9)2/h6,8,11H,4-5H2,1-3H3,(H,17,18)/t8-,11-/m0/s1.
What are the key properties of (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid?
(2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122155895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).