ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate

C10H14N4O2 — CID 146551253

IUPACethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate
SMILESCCO/C=N/c1c(C#N)cnn1CCOC
InChIInChI=1S/C10H14N4O2/c1-3-16-8-12-10-9(6-11)7-13-14(10)4-5-15-2/h7-8H,3-5H2,1-2H3/b12-8+
InChIKeyJILIUBKERBSSCV-XYOKQWHBSA-N
MW222.25 g/mol
LogP1.10
Rot. Bonds6

About ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate

ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate (PubChem CID 146551253) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate.

Molecular Properties

Compound Nameethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate
PubChem CID146551253
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Nameethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate
SMILESCCO/C=N/c1c(C#N)cnn1CCOC
InChIInChI=1S/C10H14N4O2/c1-3-16-8-12-10-9(6-11)7-13-14(10)4-5-15-2/h7-8H,3-5H2,1-2H3/b12-8+
InChIKeyJILIUBKERBSSCV-XYOKQWHBSA-N
XLogP1.10
TPSA72.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-cyano-1-(4-ethyl-2,3,5,6-tetrafluorophenyl)pyrazol-5-yl]methanimidate
CID 54404012
ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile
CID 144607263
ethyl (1Z)-N-(3-cyano-1,5-diphenylpyrrol-2-yl)methanimidate
CID 71588953
1-benzyl-5-[(4-methylpiperazin-1-yl)methylideneamino]pyrazole-4-carbonitrile
CID 663086
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
ethyl N-(2-cyanocyclohexen-1-yl)methanimidate
CID 11816197
4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde
CID 114640195
1-(2-methoxyethyl)-5-methylpyrazolo[4,5-b]pyridine
CID 177034392
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethoxyphenyl)methanone
CID 114638798
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60967015
2-[[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzonitrile
CID 52914277

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate?
The IUPAC name of ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate (CID 146551253) is ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate.
What is the SMILES notation for ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate?
The canonical SMILES for ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate is CCO/C=N/c1c(C#N)cnn1CCOC.
What is the InChIKey of ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate?
The InChIKey is JILIUBKERBSSCV-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-16-8-12-10-9(6-11)7-13-14(10)4-5-15-2/h7-8H,3-5H2,1-2H3/b12-8+.
What are the key properties of ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate?
ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate has a molecular weight of 222.25 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate is sourced from PubChem (CID 146551253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).