3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one

C24H18N2O2 — CID 3949834

IUPAC3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C24H18N2O2/c27-24-20(15-18-11-7-8-14-23(18)28-24)21-16-22(17-9-3-1-4-10-17)26(25-21)19-12-5-2-6-13-19/h1-15,22H,16H2
InChIKeyMOGJPPSIXXQCEH-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.15
Rot. Bonds3

About 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one

3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one (PubChem CID 3949834) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one.

Molecular Properties

Compound Name3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one
PubChem CID3949834
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C24H18N2O2/c27-24-20(15-18-11-7-8-14-23(18)28-24)21-16-22(17-9-3-1-4-10-17)26(25-21)19-12-5-2-6-13-19/h1-15,22H,16H2
InChIKeyMOGJPPSIXXQCEH-UHFFFAOYSA-N
XLogP5.15
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.15
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-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one?
The IUPAC name of 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one (CID 3949834) is 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one.
What is the SMILES notation for 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one?
The canonical SMILES for 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one is O=c1oc2ccccc2cc1C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one?
The InChIKey is MOGJPPSIXXQCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-24-20(15-18-11-7-8-14-23(18)28-24)21-16-22(17-9-3-1-4-10-17)26(25-21)19-12-5-2-6-13-19/h1-15,22H,16H2.
What are the key properties of 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one?
3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one has a molecular weight of 366.42 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)chromen-2-one is sourced from PubChem (CID 3949834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).