3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one

C22H16N2O3 — CID 5115349

IUPAC3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1C1=NN(c2ccccc2)C(c2ccco2)C1
InChIInChI=1S/C22H16N2O3/c25-22-17(13-15-7-4-5-10-20(15)27-22)18-14-19(21-11-6-12-26-21)24(23-18)16-8-2-1-3-9-16/h1-13,19H,14H2
InChIKeyFAXHJABHVNNAQT-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.74
Rot. Bonds3

About 3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one

3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one (PubChem CID 5115349) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
PubChem CID5115349
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1C1=NN(c2ccccc2)C(c2ccco2)C1
InChIInChI=1S/C22H16N2O3/c25-22-17(13-15-7-4-5-10-20(15)27-22)18-14-19(21-11-6-12-26-21)24(23-18)16-8-2-1-3-9-16/h1-13,19H,14H2
InChIKeyFAXHJABHVNNAQT-UHFFFAOYSA-N
XLogP4.74
TPSA58.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one?
The IUPAC name of 3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one (CID 5115349) is 3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one.
What is the SMILES notation for 3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one?
The canonical SMILES for 3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one is O=c1oc2ccccc2cc1C1=NN(c2ccccc2)C(c2ccco2)C1.
What is the InChIKey of 3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one?
The InChIKey is FAXHJABHVNNAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-22-17(13-15-7-4-5-10-20(15)27-22)18-14-19(21-11-6-12-26-21)24(23-18)16-8-2-1-3-9-16/h1-13,19H,14H2.
What are the key properties of 3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one?
3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one has a molecular weight of 356.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one is sourced from PubChem (CID 5115349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).