N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine

C24H20N4O — CID 11825063

IUPACN-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine
SMILESCc1ccc(N=C=Nc2ccccc2-c2cnn(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H20N4O/c1-19-11-13-22(14-12-19)25-18-26-24-10-6-5-9-23(24)21-15-27-28(16-21)29-17-20-7-3-2-4-8-20/h2-16H,17H2,1H3
InChIKeyDYFSLCDCCBZGLQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.62
Rot. Bonds6

About N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine

N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine (PubChem CID 11825063) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine
PubChem CID11825063
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC NameN-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine
SMILESCc1ccc(N=C=Nc2ccccc2-c2cnn(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H20N4O/c1-19-11-13-22(14-12-19)25-18-26-24-10-6-5-9-23(24)21-15-27-28(16-21)29-17-20-7-3-2-4-8-20/h2-16H,17H2,1H3
InChIKeyDYFSLCDCCBZGLQ-UHFFFAOYSA-N
XLogP5.62
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-phenylmethoxypyrazole
CID 119082094
4-chloro-1-phenylmethoxypyrazole
CID 91619331
4,5-dibromo-1-phenylmethoxypyrazole
CID 10314667
6-methyl-3-phenylmethoxypyrazolo[1,5-a]pyridine
CID 164559312
N-[2-(4-methylphenyl)phenyl]methanimine
CID 54308926
3-(1-methylpyrazol-4-yl)-4-phenylmethoxybenzenethiol
CID 167225778
3,4-diphenyl-1-phenylmethoxypyrrole
CID 141397574
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole
CID 117232675
(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol
CID 10965992
1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
CID 3756820
isocyanatobenzene;1-isocyanato-4-methylbenzene
CID 20510749

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine?
The IUPAC name of N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine (CID 11825063) is N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine.
What is the SMILES notation for N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine?
The canonical SMILES for N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine is Cc1ccc(N=C=Nc2ccccc2-c2cnn(OCc3ccccc3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine?
The InChIKey is DYFSLCDCCBZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-19-11-13-22(14-12-19)25-18-26-24-10-6-5-9-23(24)21-15-27-28(16-21)29-17-20-7-3-2-4-8-20/h2-16H,17H2,1H3.
What are the key properties of N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine?
N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine has a molecular weight of 380.45 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine is sourced from PubChem (CID 11825063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).