4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

C19H19N3O2 — CID 1239947

IUPAC4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1O
InChIInChI=1S/C19H19N3O2/c1-13-8-7-9-15(18(13)23)12-20-17-14(2)21(3)22(19(17)24)16-10-5-4-6-11-16/h4-12,23H,1-3H3/b20-12+
InChIKeyUKGMZKGHAPMQKL-UDWIEESQSA-N
MW321.38 g/mol
LogP3.25
Rot. Bonds3

About 4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 1239947) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID1239947
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1O
InChIInChI=1S/C19H19N3O2/c1-13-8-7-9-15(18(13)23)12-20-17-14(2)21(3)22(19(17)24)16-10-5-4-6-11-16/h4-12,23H,1-3H3/b20-12+
InChIKeyUKGMZKGHAPMQKL-UDWIEESQSA-N
XLogP3.25
TPSA59.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.25
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 4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 1239947) is 4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is UKGMZKGHAPMQKL-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-8-7-9-15(18(13)23)12-20-17-14(2)21(3)22(19(17)24)16-10-5-4-6-11-16/h4-12,23H,1-3H3/b20-12+.
What are the key properties of 4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 321.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 1239947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).