8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one

C25H20N2O3 — CID 118725769

IUPAC8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C25H20N2O3/c1-29-22-14-12-18-13-15-23(28)30-25(18)24(22)20-16-21(17-8-4-2-5-9-17)27(26-20)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3
InChIKeyRLRFHHHJJBPDLE-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.16
Rot. Bonds4

About 8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one

8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one (PubChem CID 118725769) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one
PubChem CID118725769
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one
SMILESCOc1ccc2ccc(=O)oc2c1C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C25H20N2O3/c1-29-22-14-12-18-13-15-23(28)30-25(18)24(22)20-16-21(17-8-4-2-5-9-17)27(26-20)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3
InChIKeyRLRFHHHJJBPDLE-UHFFFAOYSA-N
XLogP5.16
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.16
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 8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one?
The IUPAC name of 8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one (CID 118725769) is 8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one.
What is the SMILES notation for 8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one?
The canonical SMILES for 8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one is COc1ccc2ccc(=O)oc2c1C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one?
The InChIKey is RLRFHHHJJBPDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-29-22-14-12-18-13-15-23(28)30-25(18)24(22)20-16-21(17-8-4-2-5-9-17)27(26-20)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3.
What are the key properties of 8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one?
8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one has a molecular weight of 396.45 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one is sourced from PubChem (CID 118725769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).