2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde

C13H14N2O — CID 84783440

IUPAC2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde
SMILESCC(C)c1ccnn1-c1ccccc1C=O
InChIInChI=1S/C13H14N2O/c1-10(2)12-7-8-14-15(12)13-6-4-3-5-11(13)9-16/h3-10H,1-2H3
InChIKeyDAJPHSHWBXNVGV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.81
Rot. Bonds3

About 2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde

2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde (PubChem CID 84783440) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde
PubChem CID84783440
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde
SMILESCC(C)c1ccnn1-c1ccccc1C=O
InChIInChI=1S/C13H14N2O/c1-10(2)12-7-8-14-15(12)13-6-4-3-5-11(13)9-16/h3-10H,1-2H3
InChIKeyDAJPHSHWBXNVGV-UHFFFAOYSA-N
XLogP2.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.81
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-(5-propan-2-ylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde (CID 84783440) is 2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde is CC(C)c1ccnn1-c1ccccc1C=O.
What is the InChIKey of 2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde?
The InChIKey is DAJPHSHWBXNVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10(2)12-7-8-14-15(12)13-6-4-3-5-11(13)9-16/h3-10H,1-2H3.
What are the key properties of 2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde?
2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 84783440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).