1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine

C15H19N3O — CID 3131814

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine
SMILESCc1nn(C)cc1/C=N/CCOCc1ccccc1
InChIInChI=1S/C15H19N3O/c1-13-15(11-18(2)17-13)10-16-8-9-19-12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3/b16-10+
InChIKeyNEESUDGYZGXWLS-MHWRWJLKSA-N
MW257.34 g/mol
LogP2.36
Rot. Bonds6

About 1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine

1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine (PubChem CID 3131814) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine
PubChem CID3131814
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine
SMILESCc1nn(C)cc1/C=N/CCOCc1ccccc1
InChIInChI=1S/C15H19N3O/c1-13-15(11-18(2)17-13)10-16-8-9-19-12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3/b16-10+
InChIKeyNEESUDGYZGXWLS-MHWRWJLKSA-N
XLogP2.36
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine (CID 3131814) is 1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine is Cc1nn(C)cc1/C=N/CCOCc1ccccc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine?
The InChIKey is NEESUDGYZGXWLS-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H19N3O/c1-13-15(11-18(2)17-13)10-16-8-9-19-12-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12H2,1-2H3/b16-10+.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine?
1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine has a molecular weight of 257.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-(2-phenylmethoxyethyl)methanimine is sourced from PubChem (CID 3131814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).