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

C19H16N2O3 — CID 135499339

IUPAC(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one
SMILESCC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C\c1ccccc1O
InChIInChI=1S/C19H16N2O3/c1-13-16(12-15-9-5-6-10-17(15)22)19(24)21(20-13)18(23)11-14-7-3-2-4-8-14/h2-10,12,22H,11H2,1H3/b16-12-
InChIKeyGZGQOCYODSZNHY-VBKFSLOCSA-N
MW320.35 g/mol
LogP2.76
Rot. Bonds3

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

(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one (PubChem CID 135499339) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is (4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one
PubChem CID135499339
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one
SMILESCC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C\c1ccccc1O
InChIInChI=1S/C19H16N2O3/c1-13-16(12-15-9-5-6-10-17(15)22)19(24)21(20-13)18(23)11-14-7-3-2-4-8-14/h2-10,12,22H,11H2,1H3/b16-12-
InChIKeyGZGQOCYODSZNHY-VBKFSLOCSA-N
XLogP2.76
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
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 (4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one?
The IUPAC name of (4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one (CID 135499339) is (4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one.
What is the SMILES notation for (4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one?
The canonical SMILES for (4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one is CC1=NN(C(=O)Cc2ccccc2)C(=O)/C1=C\c1ccccc1O.
What is the InChIKey of (4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one?
The InChIKey is GZGQOCYODSZNHY-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13-16(12-15-9-5-6-10-17(15)22)19(24)21(20-13)18(23)11-14-7-3-2-4-8-14/h2-10,12,22H,11H2,1H3/b16-12-.
What are the key properties of (4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one?
(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one has a molecular weight of 320.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-hydroxyphenyl)methylidene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one is sourced from PubChem (CID 135499339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).