(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one

C22H16N2O2 — CID 137157573

IUPAC(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
SMILESO=C1/C(=C\c2ccc(O)cc2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-19-13-11-16(12-14-19)15-20-21(17-7-3-1-4-8-17)23-24(22(20)26)18-9-5-2-6-10-18/h1-15,25H/b20-15-
InChIKeyUPKGJFGJRDCCHI-HKWRFOASSA-N
MW340.38 g/mol
LogP4.23
Rot. Bonds3

About (4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one

(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one (PubChem CID 137157573) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is (4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
PubChem CID137157573
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one
SMILESO=C1/C(=C\c2ccc(O)cc2)C(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-19-13-11-16(12-14-19)15-20-21(17-7-3-1-4-8-17)23-24(22(20)26)18-9-5-2-6-10-18/h1-15,25H/b20-15-
InChIKeyUPKGJFGJRDCCHI-HKWRFOASSA-N
XLogP4.23
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
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

Acyl Hydrazone, 10
CID 11404599
N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9694778
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955
4-(4-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1(2H)-phthalazinone
CID 1020491
4,4'-[(4-hydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
CID 2841674
N-[3-[N-[(4-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 25237420
2-oxidanyl-N-[(E)-1-[4-(2-phenylethanoylamino)phenyl]ethylideneamino]benzamide
CID 25237596
N-{4-[(1E)-1-{2-[(4-hydroxyphenyl)carbonyl]hydrazinylidene}ethyl]phenyl}-2-phenylacetamide
CID 25237598
(4Z)-4-(4-hydroxy-3-methoxybenzylidene)-5-(4-methoxyphenyl)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 135433184
4-(diethylamino)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135521630
4-(1-(2,2-Diphenylhydrazineylidene)ethyl)phenol
CID 135676326

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one?
The IUPAC name of (4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one (CID 137157573) is (4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one.
What is the SMILES notation for (4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one?
The canonical SMILES for (4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one is O=C1/C(=C\c2ccc(O)cc2)C(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one?
The InChIKey is UPKGJFGJRDCCHI-HKWRFOASSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-19-13-11-16(12-14-19)15-20-21(17-7-3-1-4-8-17)23-24(22(20)26)18-9-5-2-6-10-18/h1-15,25H/b20-15-.
What are the key properties of (4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one?
(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one has a molecular weight of 340.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one is sourced from PubChem (CID 137157573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).