4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one

C22H19N3O2 — CID 1101244

IUPAC4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=C/c2c(O)ccc3ccccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H19N3O2/c1-15-21(22(27)25(24(15)2)17-9-4-3-5-10-17)23-14-19-18-11-7-6-8-16(18)12-13-20(19)26/h3-14,26H,1-2H3/b23-14+
InChIKeySFKAWDFUODXKKF-OEAKJJBVSA-N
MW357.41 g/mol
LogP4.09
Rot. Bonds3

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

4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 1101244) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID1101244
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=C/c2c(O)ccc3ccccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C22H19N3O2/c1-15-21(22(27)25(24(15)2)17-9-4-3-5-10-17)23-14-19-18-11-7-6-8-16(18)12-13-20(19)26/h3-14,26H,1-2H3/b23-14+
InChIKeySFKAWDFUODXKKF-OEAKJJBVSA-N
XLogP4.09
TPSA59.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.09
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-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 1101244) is 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(/N=C/c2c(O)ccc3ccccc23)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is SFKAWDFUODXKKF-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-21(22(27)25(24(15)2)17-9-4-3-5-10-17)23-14-19-18-11-7-6-8-16(18)12-13-20(19)26/h3-14,26H,1-2H3/b23-14+.
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 357.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 1101244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).