(4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one

C29H22N2O2 — CID 126086220

IUPAC(4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one
SMILESO=C1/C(=C\c2ccccc2OCc2ccccc2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C29H22N2O2/c32-29-26(20-24-16-10-11-19-27(24)33-21-22-12-4-1-5-13-22)28(23-14-6-2-7-15-23)30-31(29)25-17-8-3-9-18-25/h1-20H,21H2/b26-20-
InChIKeyBVGXZUKCSCJNLF-QOMWVZHYSA-N
MW430.51 g/mol
LogP6.10
Rot. Bonds6

About (4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one

(4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one (PubChem CID 126086220) has the molecular formula C29H22N2O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is (4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one
PubChem CID126086220
Molecular FormulaC29H22N2O2
Molecular Weight430.51 g/mol
Exact Mass430.17
IUPAC Name(4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one
SMILESO=C1/C(=C\c2ccccc2OCc2ccccc2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C29H22N2O2/c32-29-26(20-24-16-10-11-19-27(24)33-21-22-12-4-1-5-13-22)28(23-14-6-2-7-15-23)30-31(29)25-17-8-3-9-18-25/h1-20H,21H2/b26-20-
InChIKeyBVGXZUKCSCJNLF-QOMWVZHYSA-N
XLogP6.10
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

(4E)-2-(4-nitrophenyl)-5-phenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one
CID 96881667
(4Z)-4-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-diphenylpyrazol-3-one
CID 126094397
(4E)-5-methyl-2-phenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one
CID 44665480
(4E)-4-[(2-hexoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
CID 5290582
(4Z)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-diphenylpyrazol-3-one
CID 44807688
(4Z)-4-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-diphenylpyrazol-3-one
CID 126087253
(4E)-4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one
CID 11836032
3-[4-[[2-(2-amino-2-oxoethoxy)phenyl]methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoic acid
CID 71833130
(4Z)-4-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2,5-diphenylpyrazol-3-one
CID 126087199
(4Z)-4-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-diphenylpyrazol-3-one
CID 126098907
(4E)-4-[(2-methoxyphenyl)methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one
CID 91823817
(4Z)-4-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2,5-diphenylpyrazol-3-one
CID 126099337

Frequently Asked Questions

What is the IUPAC name of (4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one?
The IUPAC name of (4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one (CID 126086220) is (4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one.
What is the SMILES notation for (4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one?
The canonical SMILES for (4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one is O=C1/C(=C\c2ccccc2OCc2ccccc2)C(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one?
The InChIKey is BVGXZUKCSCJNLF-QOMWVZHYSA-N. The full InChI is InChI=1S/C29H22N2O2/c32-29-26(20-24-16-10-11-19-27(24)33-21-22-12-4-1-5-13-22)28(23-14-6-2-7-15-23)30-31(29)25-17-8-3-9-18-25/h1-20H,21H2/b26-20-.
What are the key properties of (4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one?
(4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one has a molecular weight of 430.51 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,5-diphenyl-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-3-one is sourced from PubChem (CID 126086220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).