1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine

C14H17N3O — CID 90461233

IUPAC1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine
SMILESCOc1ccccc1/N=C(\C)c1c(C)cnn1C
InChIInChI=1S/C14H17N3O/c1-10-9-15-17(3)14(10)11(2)16-12-7-5-6-8-13(12)18-4/h5-9H,1-4H3/b16-11+
InChIKeyPNNPSQQIGUBKRU-LFIBNONCSA-N
MW243.31 g/mol
LogP2.88
Rot. Bonds3

About 1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine

1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine (PubChem CID 90461233) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine
PubChem CID90461233
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine
SMILESCOc1ccccc1/N=C(\C)c1c(C)cnn1C
InChIInChI=1S/C14H17N3O/c1-10-9-15-17(3)14(10)11(2)16-12-7-5-6-8-13(12)18-4/h5-9H,1-4H3/b16-11+
InChIKeyPNNPSQQIGUBKRU-LFIBNONCSA-N
XLogP2.88
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanimine
CID 118868219
N-(2-methoxyphenyl)-1-(1H-pyrazol-4-yl)ethanimine
CID 136644324
1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
CID 90462536
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone
CID 114639397
(5-bromo-2-methoxyphenyl)-(1,4-dimethylpyrazol-5-yl)methanone
CID 112742469
bis(2-methoxyphenyl)diazene
CID 11947
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylethanimine
CID 118868171
(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
N-(2-methoxyphenyl)-4-phenylbutan-2-imine
CID 158891075
(2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate
CID 47137693
N-(2-methoxyphenyl)-N'-(2-methylphenyl)ethanimidamide
CID 20660876

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine?
The IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine (CID 90461233) is 1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine.
What is the SMILES notation for 1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine?
The canonical SMILES for 1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine is COc1ccccc1/N=C(\C)c1c(C)cnn1C.
What is the InChIKey of 1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine?
The InChIKey is PNNPSQQIGUBKRU-LFIBNONCSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-9-15-17(3)14(10)11(2)16-12-7-5-6-8-13(12)18-4/h5-9H,1-4H3/b16-11+.
What are the key properties of 1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine?
1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine has a molecular weight of 243.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrazol-5-yl)-N-(2-methoxyphenyl)ethanimine is sourced from PubChem (CID 90461233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).