1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde

C17H14N2O2 — CID 22930760

IUPAC1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C17H14N2O2/c20-12-15-11-19(16-9-5-2-6-10-16)18-17(15)21-13-14-7-3-1-4-8-14/h1-12H,13H2
InChIKeyVYFKMXYCDJGZQI-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.26
Rot. Bonds5

About 1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde

1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde (PubChem CID 22930760) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde
PubChem CID22930760
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C17H14N2O2/c20-12-15-11-19(16-9-5-2-6-10-16)18-17(15)21-13-14-7-3-1-4-8-14/h1-12H,13H2
InChIKeyVYFKMXYCDJGZQI-UHFFFAOYSA-N
XLogP3.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde?
The IUPAC name of 1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde (CID 22930760) is 1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde.
What is the SMILES notation for 1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde?
The canonical SMILES for 1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde?
The InChIKey is VYFKMXYCDJGZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-12-15-11-19(16-9-5-2-6-10-16)18-17(15)21-13-14-7-3-1-4-8-14/h1-12H,13H2.
What are the key properties of 1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde?
1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde has a molecular weight of 278.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-phenylmethoxypyrazole-4-carbaldehyde is sourced from PubChem (CID 22930760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).