5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 168690183

IUPAC5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H19N3O3/c1-7-12(8(2)15(4)14-7)9(3)16-6-10(13(18)19)5-11(16)17/h9-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyJXWMVJVSCSVZGE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.03
Rot. Bonds3

About 5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 168690183) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID168690183
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1C(C)N1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H19N3O3/c1-7-12(8(2)15(4)14-7)9(3)16-6-10(13(18)19)5-11(16)17/h9-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyJXWMVJVSCSVZGE-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-3-chlorobutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 147481828
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690179
1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066726
5-oxo-1-[1-(4-sulfanylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 144786464
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069449
1-(2-methylpentan-3-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 61469101
1-(1-carboxybutan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690197
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
CID 119175927
5-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 122117892
1-[1-(3,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82123538

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 168690183) is 5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid is Cc1nn(C)c(C)c1C(C)N1CC(C(=O)O)CC1=O.
What is the InChIKey of 5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JXWMVJVSCSVZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7-12(8(2)15(4)14-7)9(3)16-6-10(13(18)19)5-11(16)17/h9-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).