2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile

C10H15N3O — CID 112671490

IUPAC2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
SMILESCCOC(C#N)c1cn(C)nc1CC
InChIInChI=1S/C10H15N3O/c1-4-9-8(7-13(3)12-9)10(6-11)14-5-2/h7,10H,4-5H2,1-3H3
InChIKeyCVWCFHVAUYKBTJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.58
Rot. Bonds4

About 2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile

2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile (PubChem CID 112671490) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
PubChem CID112671490
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
SMILESCCOC(C#N)c1cn(C)nc1CC
InChIInChI=1S/C10H15N3O/c1-4-9-8(7-13(3)12-9)10(6-11)14-5-2/h7,10H,4-5H2,1-3H3
InChIKeyCVWCFHVAUYKBTJ-UHFFFAOYSA-N
XLogP1.58
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-hydroxyethoxy)acetonitrile
CID 103375950
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 112669631
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
2-(3-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile
CID 112669629
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
[1-(3-ethyl-1-methylpyrazol-4-yl)-2-methylprop-2-enyl]hydrazine
CID 102813156
1-(3-ethyl-1-methylpyrazol-4-yl)-N,3-dimethylbut-2-en-1-amine
CID 102812579
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102812258

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile (CID 112671490) is 2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile is CCOC(C#N)c1cn(C)nc1CC.
What is the InChIKey of 2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile?
The InChIKey is CVWCFHVAUYKBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-4-9-8(7-13(3)12-9)10(6-11)14-5-2/h7,10H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile?
2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile has a molecular weight of 193.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(3-ethyl-1-methylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 112671490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).