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

C24H18N2O3 — CID 141487167

IUPAC3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C24H18N2O3/c27-19-12-11-17-13-20(24(28)29-23(17)14-19)21-15-22(16-7-3-1-4-8-16)26(25-21)18-9-5-2-6-10-18/h1-14,22,27H,15H2
InChIKeyIXFIVRXQKQKNMR-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.85
Rot. Bonds3

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

3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one (PubChem CID 141487167) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one.

Molecular Properties

Compound Name3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one
PubChem CID141487167
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C24H18N2O3/c27-19-12-11-17-13-20(24(28)29-23(17)14-19)21-15-22(16-7-3-1-4-8-16)26(25-21)18-9-5-2-6-10-18/h1-14,22,27H,15H2
InChIKeyIXFIVRXQKQKNMR-UHFFFAOYSA-N
XLogP4.85
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-(4-Methoxy-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-YL)-benzoic acid
CID 5181298
8-(2,3-Diphenyl-3,4-dihydropyrazol-5-yl)-7-methoxychromen-2-one
CID 118725769
7-Methoxy-8-[3-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 118725770
7-Methoxy-8-[2-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 118725771
3-[5-(4-ethoxy-3-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-hydroxy-2H-chromen-2-one
CID 135460517
4-[5-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 164615381
4-[3-(4-Methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 164620461
4-[5-(2-Methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 66548445
4-[5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 66548637
3-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)-2H-chromen-2-one
CID 3949834
3-[3-(4-Methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 11646919
3-[3-(2,4-Dihydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 73353812

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one?
The IUPAC name of 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one (CID 141487167) is 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one.
What is the SMILES notation for 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one?
The canonical SMILES for 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one is O=c1oc2cc(O)ccc2cc1C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one?
The InChIKey is IXFIVRXQKQKNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c27-19-12-11-17-13-20(24(28)29-23(17)14-19)21-15-22(16-7-3-1-4-8-16)26(25-21)18-9-5-2-6-10-18/h1-14,22,27H,15H2.
What are the key properties of 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one?
3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one has a molecular weight of 382.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-7-hydroxychromen-2-one is sourced from PubChem (CID 141487167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).