1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid

C11H15N3O3 — CID 43211079

IUPAC1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C(=O)N1CCCC1C(=O)O)n1cccn1
InChIInChI=1S/C11H15N3O3/c1-8(14-7-3-5-12-14)10(15)13-6-2-4-9(13)11(16)17/h3,5,7-9H,2,4,6H2,1H3,(H,16,17)
InChIKeySNPNZYXRCYALES-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.52
Rot. Bonds3

About 1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid

1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 43211079) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID43211079
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C(=O)N1CCCC1C(=O)O)n1cccn1
InChIInChI=1S/C11H15N3O3/c1-8(14-7-3-5-12-14)10(15)13-6-2-4-9(13)11(16)17/h3,5,7-9H,2,4,6H2,1H3,(H,16,17)
InChIKeySNPNZYXRCYALES-UHFFFAOYSA-N
XLogP0.52
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrazol-1-ylethyl 1-methyl-5-oxopyrrolidine-2-carboxylate
CID 121571505
1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 132303456
1-[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 43355512
(2S)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 61137579
(2R)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 78922023
3-Methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 102776035
3-Fluoro-1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119258114
1-[2-[3-(Trifluoromethyl)pyrazol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
CID 132366805
(2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid
CID 14484598
5-(1H-pyrazol-1-yl)pentanoic acid
CID 15356622
2-Pyrazol-1-ylpentanoic acid
CID 69474437
(2S)-2-amino-5-(1H-pyrazol-1-yl)pentanoic acid
CID 89766086

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid (CID 43211079) is 1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C(=O)N1CCCC1C(=O)O)n1cccn1.
What is the InChIKey of 1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SNPNZYXRCYALES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(14-7-3-5-12-14)10(15)13-6-2-4-9(13)11(16)17/h3,5,7-9H,2,4,6H2,1H3,(H,16,17).
What are the key properties of 1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid?
1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43211079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).