2-(1-phenylpyrazol-3-yl)acetaldehyde

C11H10N2O — CID 86021167

IUPAC2-(1-phenylpyrazol-3-yl)acetaldehyde
SMILESO=CCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C11H10N2O/c14-9-7-10-6-8-13(12-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2
InChIKeyGDMGGPWGYWYXTB-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.61
Rot. Bonds3

About 2-(1-phenylpyrazol-3-yl)acetaldehyde

2-(1-phenylpyrazol-3-yl)acetaldehyde (PubChem CID 86021167) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-phenylpyrazol-3-yl)acetaldehyde
PubChem CID86021167
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(1-phenylpyrazol-3-yl)acetaldehyde
SMILESO=CCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C11H10N2O/c14-9-7-10-6-8-13(12-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2
InChIKeyGDMGGPWGYWYXTB-UHFFFAOYSA-N
XLogP1.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 63811432
2-(1-phenylpyrazol-3-yl)ethanamine
CID 47003016
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
2-methyl-2-[(1-phenylpyrazol-3-yl)methyl]but-3-enoic acid
CID 102639719
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]prop-2-en-1-amine
CID 114615905
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 65264157
N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 62887436
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]imidazole
CID 62301544
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 62885165

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-3-yl)acetaldehyde?
The IUPAC name of 2-(1-phenylpyrazol-3-yl)acetaldehyde (CID 86021167) is 2-(1-phenylpyrazol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(1-phenylpyrazol-3-yl)acetaldehyde?
The canonical SMILES for 2-(1-phenylpyrazol-3-yl)acetaldehyde is O=CCc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(1-phenylpyrazol-3-yl)acetaldehyde?
The InChIKey is GDMGGPWGYWYXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-9-7-10-6-8-13(12-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2.
What are the key properties of 2-(1-phenylpyrazol-3-yl)acetaldehyde?
2-(1-phenylpyrazol-3-yl)acetaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-3-yl)acetaldehyde is sourced from PubChem (CID 86021167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).