N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine

C12H13N3O — CID 136644324

IUPACN-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine
SMILESCOc1ccccc1/N=C(\C)c1cn[nH]c1
InChIInChI=1S/C12H13N3O/c1-9(10-7-13-14-8-10)15-11-5-3-4-6-12(11)16-2/h3-8H,1-2H3,(H,13,14)/b15-9+
InChIKeyABIZSGLDDZMHOE-OQLLNIDSSA-N
MW215.26 g/mol
LogP2.56
Rot. Bonds3

About N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine

N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine (PubChem CID 136644324) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine
PubChem CID136644324
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine
SMILESCOc1ccccc1/N=C(\C)c1cn[nH]c1
InChIInChI=1S/C12H13N3O/c1-9(10-7-13-14-8-10)15-11-5-3-4-6-12(11)16-2/h3-8H,1-2H3,(H,13,14)/b15-9+
InChIKeyABIZSGLDDZMHOE-OQLLNIDSSA-N
XLogP2.56
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine
CID 90461233
N-(2-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanimine
CID 118868219
bis(2-methoxyphenyl)diazene
CID 11947
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylethanimine
CID 118868171
N-(2-methoxyphenyl)-4-phenylbutan-2-imine
CID 158891075
3-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]chromen-2-one
CID 2751679
1-methoxy-2-(sulfinylamino)benzene
CID 598052
N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 157071276
N-(2,4-dimethoxyphenyl)-1-[6-[N-(2,4-dimethoxyphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 101225444
1-(furan-2-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
CID 90457693
N-(2-methoxyphenyl)-1-phenyl-1-thiophen-3-ylmethanimine
CID 90459317
1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
CID 90462536

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine?
The IUPAC name of N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine (CID 136644324) is N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine.
What is the SMILES notation for N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine?
The canonical SMILES for N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine is COc1ccccc1/N=C(\C)c1cn[nH]c1.
What is the InChIKey of N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine?
The InChIKey is ABIZSGLDDZMHOE-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9(10-7-13-14-8-10)15-11-5-3-4-6-12(11)16-2/h3-8H,1-2H3,(H,13,14)/b15-9+.
What are the key properties of N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine?
N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine has a molecular weight of 215.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine is sourced from PubChem (CID 136644324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).