4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

C19H19N3O3 — CID 135857168

IUPAC4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESC/C(=N\c1c(C)n(C)n(-c2ccccc2)c1=O)c1cc(O)ccc1O
InChIInChI=1S/C19H19N3O3/c1-12(16-11-15(23)9-10-17(16)24)20-18-13(2)21(3)22(19(18)25)14-7-5-4-6-8-14/h4-11,23-24H,1-3H3/b20-12+
InChIKeyCFQPNWBNPOFZLA-UDWIEESQSA-N
MW337.38 g/mol
LogP3.04
Rot. Bonds3

About 4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 135857168) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID135857168
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESC/C(=N\c1c(C)n(C)n(-c2ccccc2)c1=O)c1cc(O)ccc1O
InChIInChI=1S/C19H19N3O3/c1-12(16-11-15(23)9-10-17(16)24)20-18-13(2)21(3)22(19(18)25)14-7-5-4-6-8-14/h4-11,23-24H,1-3H3/b20-12+
InChIKeyCFQPNWBNPOFZLA-UDWIEESQSA-N
XLogP3.04
TPSA79.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2,4-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one;molybdenum;oxygen(2-);dichloride;isothiocyanate
CID 135932475
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine
CID 2140220
1,5-dimethyl-2-phenyl-4-[1-(2-tributylsilyloxyphenyl)ethylideneamino]pyrazol-3-one
CID 66555493
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 768004
4-[2-(2-hydroxyphenyl)hydrazinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 58969767
copper bis((1E,3Z,6E)-5-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,3,6-trien-3-olate)
CID 135874456
4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3730319
2,5-dihydroxybenzoic acid;1,5-dimethyl-4-[(3-methyl-2-phenylmorpholin-4-yl)methyl]-2-phenylpyrazol-3-one
CID 24833826
4-(diethylaminodiazenyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 785550
1,5-dimethyl-4-[(2-methylphenyl)methylideneamino]-2-phenylpyrazol-3-one
CID 4064247
methyl 2-cyano-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-methylsulfanylpropanoate
CID 91526043
4-[(8-hydroxyquinolin-2-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 137274143

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 135857168) is 4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is C/C(=N\c1c(C)n(C)n(-c2ccccc2)c1=O)c1cc(O)ccc1O.
What is the InChIKey of 4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is CFQPNWBNPOFZLA-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(16-11-15(23)9-10-17(16)24)20-18-13(2)21(3)22(19(18)25)14-7-5-4-6-8-14/h4-11,23-24H,1-3H3/b20-12+.
What are the key properties of 4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 337.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 135857168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).