ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile

C13H25N3O — CID 144607263

IUPACethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile
SMILESCC.CC.CCc1cnn(CCOC)c1C#N
InChIInChI=1S/C9H13N3O.2C2H6/c1-3-8-7-11-12(4-5-13-2)9(8)6-10;2*1-2/h7H,3-5H2,1-2H3;2*1-2H3
InChIKeyITGRJDXUAMPAEI-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.02
Rot. Bonds4

About ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile

ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile (PubChem CID 144607263) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile.

Molecular Properties

Compound Nameethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile
PubChem CID144607263
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Nameethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile
SMILESCC.CC.CCc1cnn(CCOC)c1C#N
InChIInChI=1S/C9H13N3O.2C2H6/c1-3-8-7-11-12(4-5-13-2)9(8)6-10;2*1-2/h7H,3-5H2,1-2H3;2*1-2H3
InChIKeyITGRJDXUAMPAEI-UHFFFAOYSA-N
XLogP3.02
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (1E)-N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]methanimidate
CID 146551253
2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
5-ethyl-1-(2-methoxyethyl)indazole
CID 71211159
4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde
CID 114640195
4-methoxy-1-methylpyrazole-5-carbonitrile
CID 15184252
5-ethyl-1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 154791772
2-[2-(2-methoxyethyl)-6-methyl-3-oxopyridazin-4-yl]acetonitrile
CID 82442992
N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440607
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethylbutan-1-one
CID 115806154
1-(2-methoxyethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperazine
CID 77098022
6-(chloromethyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 82442478

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile?
The IUPAC name of ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile (CID 144607263) is ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile.
What is the SMILES notation for ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile?
The canonical SMILES for ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile is CC.CC.CCc1cnn(CCOC)c1C#N.
What is the InChIKey of ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile?
The InChIKey is ITGRJDXUAMPAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.2C2H6/c1-3-8-7-11-12(4-5-13-2)9(8)6-10;2*1-2/h7H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile?
ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile has a molecular weight of 239.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-(2-methoxyethyl)pyrazole-5-carbonitrile is sourced from PubChem (CID 144607263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).