1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine

C15H19N3 — CID 167709418

IUPAC1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine
SMILESCCc1cc(C)c(/C=N/c2cnn(C)c2)c(C)c1
InChIInChI=1S/C15H19N3/c1-5-13-6-11(2)15(12(3)7-13)9-16-14-8-17-18(4)10-14/h6-10H,5H2,1-4H3/b16-9+
InChIKeyZPAYRYHBDLMGAU-CXUHLZMHSA-N
MW241.34 g/mol
LogP3.35
Rot. Bonds3

About 1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine

1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine (PubChem CID 167709418) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine
PubChem CID167709418
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine
SMILESCCc1cc(C)c(/C=N/c2cnn(C)c2)c(C)c1
InChIInChI=1S/C15H19N3/c1-5-13-6-11(2)15(12(3)7-13)9-16-14-8-17-18(4)10-14/h6-10H,5H2,1-4H3/b16-9+
InChIKeyZPAYRYHBDLMGAU-CXUHLZMHSA-N
XLogP3.35
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethyl-1-methylpyrazole
CID 143829284
ethane;6-ethyl-8-methyl-3-(1-methylpyrazol-4-yl)isoquinoline
CID 145409460
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
CID 170591109
[N-carboxy-N'-(1-methylpyrazol-4-yl)carbamimidoyl]carbamic acid
CID 136607409
1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 75496430
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941
1,4-dimethylpyrazole
CID 167636457
4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117331158
[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567
4-aminophenol;ethanol;1-methylpyrazole-4-carbaldehyde;4-[(1-methylpyrazol-4-yl)methylideneamino]phenol
CID 163816485
1-methyl-4-propylpyrazole;propane
CID 155742221
[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28933161

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine?
The IUPAC name of 1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine (CID 167709418) is 1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine.
What is the SMILES notation for 1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine?
The canonical SMILES for 1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine is CCc1cc(C)c(/C=N/c2cnn(C)c2)c(C)c1.
What is the InChIKey of 1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine?
The InChIKey is ZPAYRYHBDLMGAU-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H19N3/c1-5-13-6-11(2)15(12(3)7-13)9-16-14-8-17-18(4)10-14/h6-10H,5H2,1-4H3/b16-9+.
What are the key properties of 1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine?
1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine has a molecular weight of 241.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,6-dimethylphenyl)-N-(1-methylpyrazol-4-yl)methanimine is sourced from PubChem (CID 167709418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).