2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde

C14H16N2O — CID 61238668

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
SMILESCCc1c(C)nn(-c2ccccc2C=O)c1C
InChIInChI=1S/C14H16N2O/c1-4-13-10(2)15-16(11(13)3)14-8-6-5-7-12(14)9-17/h5-9H,4H2,1-3H3
InChIKeyFOTVJHVFLCSNJO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.86
Rot. Bonds3

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde (PubChem CID 61238668) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
PubChem CID61238668
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
SMILESCCc1c(C)nn(-c2ccccc2C=O)c1C
InChIInChI=1S/C14H16N2O/c1-4-13-10(2)15-16(11(13)3)14-8-6-5-7-12(14)9-17/h5-9H,4H2,1-3H3
InChIKeyFOTVJHVFLCSNJO-UHFFFAOYSA-N
XLogP2.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde (CID 61238668) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde is CCc1c(C)nn(-c2ccccc2C=O)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The InChIKey is FOTVJHVFLCSNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-13-10(2)15-16(11(13)3)14-8-6-5-7-12(14)9-17/h5-9H,4H2,1-3H3.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde has a molecular weight of 228.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 61238668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).