(4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one

C32H24N4O — CID 75459358

IUPAC(4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H24N4O/c1-23-30(32(37)36(33-23)29-15-9-4-10-16-29)21-27-22-35(28-13-7-3-8-14-28)34-31(27)26-19-17-25(18-20-26)24-11-5-2-6-12-24/h2-22H,1H3/b30-21+
InChIKeyFRZLSZXPVILEGV-MWAVMZGNSA-N
MW480.57 g/mol
LogP7.01
Rot. Bonds5

About (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one

(4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one (PubChem CID 75459358) has the molecular formula C32H24N4O and a molecular weight of 480.57 g/mol. Its IUPAC name is (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one.

Molecular Properties

Compound Name(4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one
PubChem CID75459358
Molecular FormulaC32H24N4O
Molecular Weight480.57 g/mol
Exact Mass480.20
IUPAC Name(4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H24N4O/c1-23-30(32(37)36(33-23)29-15-9-4-10-16-29)21-27-22-35(28-13-7-3-8-14-28)34-31(27)26-19-17-25(18-20-26)24-11-5-2-6-12-24/h2-22H,1H3/b30-21+
InChIKeyFRZLSZXPVILEGV-MWAVMZGNSA-N
XLogP7.01
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one?
The IUPAC name of (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one (CID 75459358) is (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one.
What is the SMILES notation for (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one?
The canonical SMILES for (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one?
The InChIKey is FRZLSZXPVILEGV-MWAVMZGNSA-N. The full InChI is InChI=1S/C32H24N4O/c1-23-30(32(37)36(33-23)29-15-9-4-10-16-29)21-27-22-35(28-13-7-3-8-14-28)34-31(27)26-19-17-25(18-20-26)24-11-5-2-6-12-24/h2-22H,1H3/b30-21+.
What are the key properties of (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one?
(4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one has a molecular weight of 480.57 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methyl-2-phenyl-4-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]pyrazol-3-one is sourced from PubChem (CID 75459358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).