5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one

C19H19N3O3 — CID 1478299

IUPAC5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one
SMILESCCOc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(OC)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-18-17(13-20-14-9-11-16(24-2)12-10-14)19(23)22(21-18)15-7-5-4-6-8-15/h4-13,21H,3H2,1-2H3/b20-13+
InChIKeyHAMIUAFRSCPQJJ-DEDYPNTBSA-N
MW337.38 g/mol
LogP3.32
Rot. Bonds6

About 5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one

5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 1478299) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one
PubChem CID1478299
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one
SMILESCCOc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(OC)cc1
InChIInChI=1S/C19H19N3O3/c1-3-25-18-17(13-20-14-9-11-16(24-2)12-10-14)19(23)22(21-18)15-7-5-4-6-8-15/h4-13,21H,3H2,1-2H3/b20-13+
InChIKeyHAMIUAFRSCPQJJ-DEDYPNTBSA-N
XLogP3.32
TPSA68.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one (CID 1478299) is 5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one is CCOc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(OC)cc1.
What is the InChIKey of 5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is HAMIUAFRSCPQJJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-18-17(13-20-14-9-11-16(24-2)12-10-14)19(23)22(21-18)15-7-5-4-6-8-15/h4-13,21H,3H2,1-2H3/b20-13+.
What are the key properties of 5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one?
5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 337.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-[(4-methoxyphenyl)iminomethyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 1478299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).