(4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one

C17H14N2O2 — CID 5334033

IUPAC(4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(O)c1
InChIInChI=1S/C17H14N2O2/c1-12-16(11-13-6-5-9-15(20)10-13)17(21)19(18-12)14-7-3-2-4-8-14/h2-11,20H,1H3/b16-11-
InChIKeyVIAOWTSFXUAHCK-WJDWOHSUSA-N
MW278.31 g/mol
LogP3.20
Rot. Bonds2

About (4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one

(4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one (PubChem CID 5334033) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
PubChem CID5334033
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name(4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(O)c1
InChIInChI=1S/C17H14N2O2/c1-12-16(11-13-6-5-9-15(20)10-13)17(21)19(18-12)14-7-3-2-4-8-14/h2-11,20H,1H3/b16-11-
InChIKeyVIAOWTSFXUAHCK-WJDWOHSUSA-N
XLogP3.20
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.20
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

4-(3,4-Dimethoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5386459
4-(4-Methoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5395481
1-Phenyl-3-methyl-4-(2-methoxyphenylmethylene)-5-pyrazolone
CID 5377598
(4E)-4-(4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 5386456
(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 2312163
1-Phenyl-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one
CID 135436329
(Z)-4-(4-hydroxybenzylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 135421553
4-(3,4-dihydroxybenzylidene)-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
CID 135401679
(4E)-4-(2-hydroxy-3-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 135511554
1(2H)-Phthalazinone, 8-hydroxy-4-methyl-2-phenyl-
CID 5492996
(e)-4-(3-Hydroxybenzylideneamino)-2,3-dimethyl-1-phenyl-1,2-dihydropyrazol-5-one
CID 722753
N-(3-fluorophenyl)-3-[(3-hydroxybenzoyl)hydrazono]butanamide
CID 9594172

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The IUPAC name of (4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one (CID 5334033) is (4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one.
What is the SMILES notation for (4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The canonical SMILES for (4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(O)c1.
What is the InChIKey of (4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
The InChIKey is VIAOWTSFXUAHCK-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-16(11-13-6-5-9-15(20)10-13)17(21)19(18-12)14-7-3-2-4-8-14/h2-11,20H,1H3/b16-11-.
What are the key properties of (4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one?
(4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one has a molecular weight of 278.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-hydroxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 5334033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).