4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

C19H19N3O2 — CID 3796701

IUPAC4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCCOc1ccc(/N=C/C2C(=O)N(c3ccccc3)N=C2C)cc1
InChIInChI=1S/C19H19N3O2/c1-3-24-17-11-9-15(10-12-17)20-13-18-14(2)21-22(19(18)23)16-7-5-4-6-8-16/h4-13,18H,3H2,1-2H3/b20-13+
InChIKeyJDLTZAXLWCMBLZ-DEDYPNTBSA-N
MW321.38 g/mol
LogP3.83
Rot. Bonds5

About 4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one (PubChem CID 3796701) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
PubChem CID3796701
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCCOc1ccc(/N=C/C2C(=O)N(c3ccccc3)N=C2C)cc1
InChIInChI=1S/C19H19N3O2/c1-3-24-17-11-9-15(10-12-17)20-13-18-14(2)21-22(19(18)23)16-7-5-4-6-8-16/h4-13,18H,3H2,1-2H3/b20-13+
InChIKeyJDLTZAXLWCMBLZ-DEDYPNTBSA-N
XLogP3.83
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one (CID 3796701) is 4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one is CCOc1ccc(/N=C/C2C(=O)N(c3ccccc3)N=C2C)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
The InChIKey is JDLTZAXLWCMBLZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-24-17-11-9-15(10-12-17)20-13-18-14(2)21-22(19(18)23)16-7-5-4-6-8-16/h4-13,18H,3H2,1-2H3/b20-13+.
What are the key properties of 4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one?
4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one has a molecular weight of 321.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)iminomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 3796701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).