2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile

C7H9N3O — CID 165477234

IUPAC2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile
SMILESCOC(C#N)c1ccnn1C
InChIInChI=1S/C7H9N3O/c1-10-6(3-4-9-10)7(5-8)11-2/h3-4,7H,1-2H3
InChIKeyOWWDWCONXUMJES-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.63
Rot. Bonds2

About 2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile

2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile (PubChem CID 165477234) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile
PubChem CID165477234
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile
SMILESCOC(C#N)c1ccnn1C
InChIInChI=1S/C7H9N3O/c1-10-6(3-4-9-10)7(5-8)11-2/h3-4,7H,1-2H3
InChIKeyOWWDWCONXUMJES-UHFFFAOYSA-N
XLogP0.63
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethoxy-1-(2-methylpyrazol-3-yl)ethanamine
CID 79492637
2-methoxy-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83827130
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 105098269
2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine
CID 116724449
2-methoxy-2-(3-propan-2-ylimidazol-4-yl)acetonitrile
CID 66164450
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
2-cyclohexyl-2-methoxy-1-(2-methylpyrazol-3-yl)ethanamine
CID 116771231
4-(2-methylpyrazol-3-yl)pentan-2-one
CID 64719612
2-methoxy-2-(4-phenylphenyl)acetonitrile
CID 66070699
2-methyl-4-(2-methylpyrazol-3-yl)-4-oxobutanenitrile
CID 114554017
2-cyclopropyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83826852
[2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105307544

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile?
The IUPAC name of 2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile (CID 165477234) is 2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile.
What is the SMILES notation for 2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile?
The canonical SMILES for 2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile is COC(C#N)c1ccnn1C.
What is the InChIKey of 2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile?
The InChIKey is OWWDWCONXUMJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-10-6(3-4-9-10)7(5-8)11-2/h3-4,7H,1-2H3.
What are the key properties of 2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile?
2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile has a molecular weight of 151.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2-methylpyrazol-3-yl)acetonitrile is sourced from PubChem (CID 165477234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).