2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 114557623

IUPAC2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCn1nccc1C1C(C(=O)O)CC(=O)N1C(C)C
InChIInChI=1S/C13H19N3O3/c1-4-15-10(5-6-14-15)12-9(13(18)19)7-11(17)16(12)8(2)3/h5-6,8-9,12H,4,7H2,1-3H3,(H,18,19)
InChIKeyKIOZTOPDNSGBHI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.29
Rot. Bonds4

About 2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid

2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 114557623) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID114557623
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCn1nccc1C1C(C(=O)O)CC(=O)N1C(C)C
InChIInChI=1S/C13H19N3O3/c1-4-15-10(5-6-14-15)12-9(13(18)19)7-11(17)16(12)8(2)3/h5-6,8-9,12H,4,7H2,1-3H3,(H,18,19)
InChIKeyKIOZTOPDNSGBHI-UHFFFAOYSA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one
CID 178196634
1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557617
(2R,3S)-5-oxo-1-propan-2-yl-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 51970559
3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114557644
2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379249
1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557630
4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557609
(2S,3R)-1-[(2R)-butan-2-yl]-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217803
2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379248
2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79972285
4-ethyl-2-(2-ethylpyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 81021302
1-ethyl-7-oxo-2-(2-propylpyrazol-3-yl)azepane-3-carboxylic acid
CID 114557657

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 114557623) is 2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is CCn1nccc1C1C(C(=O)O)CC(=O)N1C(C)C.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is KIOZTOPDNSGBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-15-10(5-6-14-15)12-9(13(18)19)7-11(17)16(12)8(2)3/h5-6,8-9,12H,4,7H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114557623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).