1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid

C12H17N3O3 — CID 119355394

IUPAC1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCCn1cccn1
InChIInChI=1S/C12H17N3O3/c16-11(5-2-7-14-8-3-6-13-14)15-9-1-4-10(15)12(17)18/h3,6,8,10H,1-2,4-5,7,9H2,(H,17,18)
InChIKeyGZFOUNYXASSJPH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds5

About 1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid

1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 119355394) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID119355394
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)CCCn1cccn1
InChIInChI=1S/C12H17N3O3/c16-11(5-2-7-14-8-3-6-13-14)15-9-1-4-10(15)12(17)18/h3,6,8,10H,1-2,4-5,7,9H2,(H,17,18)
InChIKeyGZFOUNYXASSJPH-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
CID 28789916
1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 129427741
1-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxylic acid
CID 61494666
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
CID 160598111
CID 160598111
4-pyrazol-1-yl-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]butan-1-one
CID 95978501
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
CID 150619819
1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110119264
1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95315184
(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124702735

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid (CID 119355394) is 1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)CCCn1cccn1.
What is the InChIKey of 1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GZFOUNYXASSJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11(5-2-7-14-8-3-6-13-14)15-9-1-4-10(15)12(17)18/h3,6,8,10H,1-2,4-5,7,9H2,(H,17,18).
What are the key properties of 1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid?
1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).