4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one

C18H17N3O2 — CID 753822

IUPAC4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one
SMILESCc1ccccc1-n1[nH]c(C)c(/C=N/c2ccccc2O)c1=O
InChIInChI=1S/C18H17N3O2/c1-12-7-3-5-9-16(12)21-18(23)14(13(2)20-21)11-19-15-8-4-6-10-17(15)22/h3-11,20,22H,1-2H3/b19-11+
InChIKeyQDMGTKBASFJPGE-YBFXNURJSA-N
MW307.35 g/mol
LogP3.24
Rot. Bonds3

About 4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one

4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one (PubChem CID 753822) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one
PubChem CID753822
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one
SMILESCc1ccccc1-n1[nH]c(C)c(/C=N/c2ccccc2O)c1=O
InChIInChI=1S/C18H17N3O2/c1-12-7-3-5-9-16(12)21-18(23)14(13(2)20-21)11-19-15-8-4-6-10-17(15)22/h3-11,20,22H,1-2H3/b19-11+
InChIKeyQDMGTKBASFJPGE-YBFXNURJSA-N
XLogP3.24
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-((p-Hydroxyanilino)methylene)-3-methyl-1-phenyl-2-pyrazolin-5-one
CID 211881
1,2-Dihydro-4-(((2-hydroxyphenyl)methylene)amino)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
CID 207856
3-[(2-hydroxyphenyl)iminomethyl]-6-methyl-1H-quinolin-2-one
CID 136235458
3-[(4-hydroxyphenyl)iminomethyl]-1H-quinolin-2-one
CID 136235459
2,3-Dimethyl-4-(4-hydroxybenzylideneamino)-1-phenyl-3-pyrazolin-5-one
CID 832826
(4E)-2-(2,4-dimethylphenyl)-4-{[(2-methoxyphenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 825500
3-[(2-hydroxyphenyl)iminomethyl]-1H-quinolin-2-one
CID 136235457
1,3-Diphenyl-4-((p-hydroxyanilino)methylene)-2-pyrazolin-5-one
CID 212693
(e)-4-(3-Hydroxybenzylideneamino)-2,3-dimethyl-1-phenyl-1,2-dihydropyrazol-5-one
CID 722753
(4E)-2-(4-fluorophenyl)-4-{[(2-hydroxy-2-phenylethyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
CID 4203875
(4E)-4-{[(5-bromo-2-hydroxyphenyl)amino]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 1283362
(4E)-4-{[(2-hydroxy-3,5-dinitrophenyl)amino]methylidene}-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
CID 3917001

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one (CID 753822) is 4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one is Cc1ccccc1-n1[nH]c(C)c(/C=N/c2ccccc2O)c1=O.
What is the InChIKey of 4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one?
The InChIKey is QDMGTKBASFJPGE-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-3-5-9-16(12)21-18(23)14(13(2)20-21)11-19-15-8-4-6-10-17(15)22/h3-11,20,22H,1-2H3/b19-11+.
What are the key properties of 4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one?
4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one has a molecular weight of 307.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)iminomethyl]-5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 753822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).