1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde

C10H13N3O2 — CID 122240500

IUPAC1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C10H13N3O2/c14-8-9-5-11-13(6-9)7-10(15)12-3-1-2-4-12/h5-6,8H,1-4,7H2
InChIKeyILIARXNLKUORRA-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.32
Rot. Bonds3

About 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde

1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde (PubChem CID 122240500) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
PubChem CID122240500
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CC(=O)N2CCCC2)c1
InChIInChI=1S/C10H13N3O2/c14-8-9-5-11-13(6-9)7-10(15)12-3-1-2-4-12/h5-6,8H,1-4,7H2
InChIKeyILIARXNLKUORRA-UHFFFAOYSA-N
XLogP0.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-iodopyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 5299765
2-(4-ethynylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 122240514
2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 122240516
1-(azepan-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 17383712
CID 123280333
CID 123280333
1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
CID 19622291
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(dimethylamino)azepan-1-yl]ethanone
CID 70709104
(E)-3-(1-benzylpyrazol-4-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 17411405
(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315409
2-(4-chloropyrazol-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 136526860
2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 121226431
1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059933

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde (CID 122240500) is 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde is O=Cc1cnn(CC(=O)N2CCCC2)c1.
What is the InChIKey of 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde?
The InChIKey is ILIARXNLKUORRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-8-9-5-11-13(6-9)7-10(15)12-3-1-2-4-12/h5-6,8H,1-4,7H2.
What are the key properties of 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde?
1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 122240500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).