3-(1-phenylpyrazol-3-yl)chromen-2-one

C18H12N2O2 — CID 10902283

IUPAC3-(1-phenylpyrazol-3-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H12N2O2/c21-18-15(12-13-6-4-5-9-17(13)22-18)16-10-11-20(19-16)14-7-2-1-3-8-14/h1-12H
InChIKeyFJSKUPHLAKQCDW-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.65
Rot. Bonds2

About 3-(1-phenylpyrazol-3-yl)chromen-2-one

3-(1-phenylpyrazol-3-yl)chromen-2-one (PubChem CID 10902283) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-3-yl)chromen-2-one.

Molecular Properties

Compound Name3-(1-phenylpyrazol-3-yl)chromen-2-one
PubChem CID10902283
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name3-(1-phenylpyrazol-3-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H12N2O2/c21-18-15(12-13-6-4-5-9-17(13)22-18)16-10-11-20(19-16)14-7-2-1-3-8-14/h1-12H
InChIKeyFJSKUPHLAKQCDW-UHFFFAOYSA-N
XLogP3.65
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-3-yl)chromen-2-one?
The IUPAC name of 3-(1-phenylpyrazol-3-yl)chromen-2-one (CID 10902283) is 3-(1-phenylpyrazol-3-yl)chromen-2-one.
What is the SMILES notation for 3-(1-phenylpyrazol-3-yl)chromen-2-one?
The canonical SMILES for 3-(1-phenylpyrazol-3-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-(1-phenylpyrazol-3-yl)chromen-2-one?
The InChIKey is FJSKUPHLAKQCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-18-15(12-13-6-4-5-9-17(13)22-18)16-10-11-20(19-16)14-7-2-1-3-8-14/h1-12H.
What are the key properties of 3-(1-phenylpyrazol-3-yl)chromen-2-one?
3-(1-phenylpyrazol-3-yl)chromen-2-one has a molecular weight of 288.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-3-yl)chromen-2-one is sourced from PubChem (CID 10902283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).