2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid

C13H20N4O3 — CID 83071140

IUPAC2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCCn1cccn1
InChIInChI=1S/C13H20N4O3/c1-2-13(11(18)19)5-3-9-17(13)12(20)14-7-10-16-8-4-6-15-16/h4,6,8H,2-3,5,7,9-10H2,1H3,(H,14,20)(H,18,19)
InChIKeyOVILCAXELDGKOK-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.92
Rot. Bonds5

About 2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 83071140) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID83071140
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCCn1cccn1
InChIInChI=1S/C13H20N4O3/c1-2-13(11(18)19)5-3-9-17(13)12(20)14-7-10-16-8-4-6-15-16/h4,6,8H,2-3,5,7,9-10H2,1H3,(H,14,20)(H,18,19)
InChIKeyOVILCAXELDGKOK-UHFFFAOYSA-N
XLogP0.92
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 83071140) is 2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)NCCn1cccn1.
What is the InChIKey of 2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OVILCAXELDGKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-13(11(18)19)5-3-9-17(13)12(20)14-7-10-16-8-4-6-15-16/h4,6,8H,2-3,5,7,9-10H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-pyrazol-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83071140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).