(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one

C24H20N2O4 — CID 135433184

IUPAC(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one
SMILESCOc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C24H20N2O4/c1-29-19-11-9-17(10-12-19)23-20(14-16-8-13-21(27)22(15-16)30-2)24(28)26(25-23)18-6-4-3-5-7-18/h3-15,27H,1-2H3/b20-14-
InChIKeyAGIHMWDHSMXRHE-ZHZULCJRSA-N
MW400.43 g/mol
LogP4.24
Rot. Bonds5

About (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one

(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one (PubChem CID 135433184) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one
PubChem CID135433184
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one
SMILESCOc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C24H20N2O4/c1-29-19-11-9-17(10-12-19)23-20(14-16-8-13-21(27)22(15-16)30-2)24(28)26(25-23)18-6-4-3-5-7-18/h3-15,27H,1-2H3/b20-14-
InChIKeyAGIHMWDHSMXRHE-ZHZULCJRSA-N
XLogP4.24
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one?
The IUPAC name of (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one (CID 135433184) is (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one.
What is the SMILES notation for (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one?
The canonical SMILES for (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one is COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2ccc(O)c(OC)c2)cc1.
What is the InChIKey of (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one?
The InChIKey is AGIHMWDHSMXRHE-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-29-19-11-9-17(10-12-19)23-20(14-16-8-13-21(27)22(15-16)30-2)24(28)26(25-23)18-6-4-3-5-7-18/h3-15,27H,1-2H3/b20-14-.
What are the key properties of (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one?
(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one has a molecular weight of 400.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one is sourced from PubChem (CID 135433184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).