5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one

C21H19N5O — CID 135691152

IUPAC5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/Nc1cc(C)c2ccccc2n1
InChIInChI=1S/C21H19N5O/c1-14-12-20(23-19-11-7-6-10-17(14)19)24-22-13-18-15(2)25-26(21(18)27)16-8-4-3-5-9-16/h3-13,25H,1-2H3,(H,23,24)/b22-13+
InChIKeyFRPXOSNIKNMRPP-LPYMAVHISA-N
MW357.42 g/mol
LogP3.78
Rot. Bonds4

About 5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one

5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 135691152) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
PubChem CID135691152
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/C=N/Nc1cc(C)c2ccccc2n1
InChIInChI=1S/C21H19N5O/c1-14-12-20(23-19-11-7-6-10-17(14)19)24-22-13-18-15(2)25-26(21(18)27)16-8-4-3-5-9-16/h3-13,25H,1-2H3,(H,23,24)/b22-13+
InChIKeyFRPXOSNIKNMRPP-LPYMAVHISA-N
XLogP3.78
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
CID 136676848
5-methyl-2-phenyl-4-[(E)-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazinylidene)methyl]-1H-pyrazol-3-one
CID 135998652
6-methyl-3-[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135496913
4-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]quinolin-2-amine
CID 2852047
N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide
CID 4124264
3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 136621912
N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 135536611
4-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 135579257
5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one
CID 137070239
4-[(E)-1,3-benzothiazol-2-yliminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135657795
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 135472615
4-[(dimethylhydrazinylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 867753

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one (CID 135691152) is 5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/Nc1cc(C)c2ccccc2n1.
What is the InChIKey of 5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is FRPXOSNIKNMRPP-LPYMAVHISA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-12-20(23-19-11-7-6-10-17(14)19)24-22-13-18-15(2)25-26(21(18)27)16-8-4-3-5-9-16/h3-13,25H,1-2H3,(H,23,24)/b22-13+.
What are the key properties of 5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one?
5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 357.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 135691152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).