4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde

C17H16N2O — CID 87671116

IUPAC4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde
SMILESCCc1nn2ccccc2c1Cc1ccc(C=O)cc1
InChIInChI=1S/C17H16N2O/c1-2-16-15(17-5-3-4-10-19(17)18-16)11-13-6-8-14(12-20)9-7-13/h3-10,12H,2,11H2,1H3
InChIKeyXEBMEGVQQBBIKE-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.30
Rot. Bonds4

About 4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde

4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde (PubChem CID 87671116) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde
PubChem CID87671116
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde
SMILESCCc1nn2ccccc2c1Cc1ccc(C=O)cc1
InChIInChI=1S/C17H16N2O/c1-2-16-15(17-5-3-4-10-19(17)18-16)11-13-6-8-14(12-20)9-7-13/h3-10,12H,2,11H2,1H3
InChIKeyXEBMEGVQQBBIKE-UHFFFAOYSA-N
XLogP3.30
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.30
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 4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde?
The IUPAC name of 4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde (CID 87671116) is 4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde.
What is the SMILES notation for 4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde?
The canonical SMILES for 4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde is CCc1nn2ccccc2c1Cc1ccc(C=O)cc1.
What is the InChIKey of 4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde?
The InChIKey is XEBMEGVQQBBIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-16-15(17-5-3-4-10-19(17)18-16)11-13-6-8-14(12-20)9-7-13/h3-10,12H,2,11H2,1H3.
What are the key properties of 4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde?
4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde has a molecular weight of 264.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzaldehyde is sourced from PubChem (CID 87671116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).