4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one

C31H26N2O — CID 15866587

IUPAC4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one
SMILESCc1ccc(C2C(c3ccccc3)=NN(c3ccccc3)C23CCc2ccccc2C3=O)cc1
InChIInChI=1S/C31H26N2O/c1-22-16-18-24(19-17-22)28-29(25-11-4-2-5-12-25)32-33(26-13-6-3-7-14-26)31(28)21-20-23-10-8-9-15-27(23)30(31)34/h2-19,28H,20-21H2,1H3
InChIKeyHCODHWLLDWBSBU-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.57
Rot. Bonds3

About 4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one

4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one (PubChem CID 15866587) has the molecular formula C31H26N2O and a molecular weight of 442.56 g/mol. Its IUPAC name is 4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one.

Molecular Properties

Compound Name4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one
PubChem CID15866587
Molecular FormulaC31H26N2O
Molecular Weight442.56 g/mol
Exact Mass442.20
IUPAC Name4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one
SMILESCc1ccc(C2C(c3ccccc3)=NN(c3ccccc3)C23CCc2ccccc2C3=O)cc1
InChIInChI=1S/C31H26N2O/c1-22-16-18-24(19-17-22)28-29(25-11-4-2-5-12-25)32-33(26-13-6-3-7-14-26)31(28)21-20-23-10-8-9-15-27(23)30(31)34/h2-19,28H,20-21H2,1H3
InChIKeyHCODHWLLDWBSBU-UHFFFAOYSA-N
XLogP6.57
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one
CID 15866585
(1S,11S)-1,11-bis(4-methylphenyl)-2,4,8,10-tetraphenyl-3,4,8,9-tetrazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one
CID 102376411
1',3',4'-triphenylspiro[2H-chromene-3,5'-4H-pyrazole]-4-one
CID 101174871
3'-(4-oxo-1',4'-diphenylspiro[2H-chromene-3,5'-4H-pyrazole]-3'-yl)-1',4'-diphenylspiro[2H-chromene-3,5'-4H-pyrazole]-4-one
CID 102399539
4'-(4-chlorophenyl)-1',3'-diphenylspiro[2H-thiopyrano[2,3-b]pyridine-3,5'-4H-pyrazole]-4-one
CID 11248661
3'-(4-oxo-1',4'-diphenylspiro[2H-thiochromene-3,5'-4H-pyrazole]-3'-yl)-1',4'-diphenylspiro[2H-thiochromene-3,5'-4H-pyrazole]-4-one
CID 102399540
(3'E,4R,5R)-4-(4-chlorophenyl)-3'-[(4-chlorophenyl)methylidene]-3-(4-methylphenyl)-1-phenylspiro[4H-pyrazole-5,1'-indene]-2'-one
CID 139236884
(2R,3R,4'R)-1',2,3',4'-tetraphenylspiro[2H-chromene-3,5'-4H-pyrazole]-4-one
CID 139056858
(2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one
CID 7313502
ethyl (4R)-4-(4-methylphenyl)-1',3'-dioxo-1-phenylspiro[4H-pyrazole-5,2'-indene]-3-carboxylate
CID 979952
bromomethane;1',3',4'-triphenylspiro[1H-indole-3,5'-4H-pyrazole]-2-one
CID 139236862
(3'E,4R,5R)-3,4-bis(4-methoxyphenyl)-3'-[(4-methoxyphenyl)methylidene]-1-phenylspiro[4H-pyrazole-5,1'-indene]-2'-one
CID 139236882

Frequently Asked Questions

What is the IUPAC name of 4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one?
The IUPAC name of 4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one (CID 15866587) is 4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one.
What is the SMILES notation for 4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one?
The canonical SMILES for 4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one is Cc1ccc(C2C(c3ccccc3)=NN(c3ccccc3)C23CCc2ccccc2C3=O)cc1.
What is the InChIKey of 4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one?
The InChIKey is HCODHWLLDWBSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O/c1-22-16-18-24(19-17-22)28-29(25-11-4-2-5-12-25)32-33(26-13-6-3-7-14-26)31(28)21-20-23-10-8-9-15-27(23)30(31)34/h2-19,28H,20-21H2,1H3.
What are the key properties of 4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one?
4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one has a molecular weight of 442.56 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one is sourced from PubChem (CID 15866587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).