4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one

C24H21N3O — CID 1099344

IUPAC4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=C/c2ccc3c4c(cccc24)CC3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H21N3O/c1-16-23(24(28)27(26(16)2)20-8-4-3-5-9-20)25-15-19-14-13-18-12-11-17-7-6-10-21(19)22(17)18/h3-10,13-15H,11-12H2,1-2H3/b25-15+
InChIKeyWQIYCLJCJXWOEX-MFKUBSTISA-N
MW367.45 g/mol
LogP4.49
Rot. Bonds3

About 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one

4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 1099344) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID1099344
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(/N=C/c2ccc3c4c(cccc24)CC3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H21N3O/c1-16-23(24(28)27(26(16)2)20-8-4-3-5-9-20)25-15-19-14-13-18-12-11-17-7-6-10-21(19)22(17)18/h3-10,13-15H,11-12H2,1-2H3/b25-15+
InChIKeyWQIYCLJCJXWOEX-MFKUBSTISA-N
XLogP4.49
TPSA39.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one (CID 1099344) is 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(/N=C/c2ccc3c4c(cccc24)CC3)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is WQIYCLJCJXWOEX-MFKUBSTISA-N. The full InChI is InChI=1S/C24H21N3O/c1-16-23(24(28)27(26(16)2)20-8-4-3-5-9-20)25-15-19-14-13-18-12-11-17-7-6-10-21(19)22(17)18/h3-10,13-15H,11-12H2,1-2H3/b25-15+.
What are the key properties of 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one?
4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 367.45 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 1099344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).