(1,5-diphenylpyrazol-3-yl) formate

C16H12N2O2 — CID 91229839

IUPAC(1,5-diphenylpyrazol-3-yl) formate
SMILESO=COc1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H12N2O2/c19-12-20-16-11-15(13-7-3-1-4-8-13)18(17-16)14-9-5-2-6-10-14/h1-12H
InChIKeyJAIQIMUDFLPMTO-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.07
Rot. Bonds4

About (1,5-diphenylpyrazol-3-yl) formate

(1,5-diphenylpyrazol-3-yl) formate (PubChem CID 91229839) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (1,5-diphenylpyrazol-3-yl) formate.

Molecular Properties

Compound Name(1,5-diphenylpyrazol-3-yl) formate
PubChem CID91229839
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(1,5-diphenylpyrazol-3-yl) formate
SMILESO=COc1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H12N2O2/c19-12-20-16-11-15(13-7-3-1-4-8-13)18(17-16)14-9-5-2-6-10-14/h1-12H
InChIKeyJAIQIMUDFLPMTO-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.07
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 (1,5-diphenylpyrazol-3-yl) formate?
The IUPAC name of (1,5-diphenylpyrazol-3-yl) formate (CID 91229839) is (1,5-diphenylpyrazol-3-yl) formate.
What is the SMILES notation for (1,5-diphenylpyrazol-3-yl) formate?
The canonical SMILES for (1,5-diphenylpyrazol-3-yl) formate is O=COc1cc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of (1,5-diphenylpyrazol-3-yl) formate?
The InChIKey is JAIQIMUDFLPMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-12-20-16-11-15(13-7-3-1-4-8-13)18(17-16)14-9-5-2-6-10-14/h1-12H.
What are the key properties of (1,5-diphenylpyrazol-3-yl) formate?
(1,5-diphenylpyrazol-3-yl) formate has a molecular weight of 264.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-diphenylpyrazol-3-yl) formate is sourced from PubChem (CID 91229839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).