2-(2-ethylpyrazol-3-yl)acetonitrile

C7H9N3 — CID 50896776

IUPAC2-(2-ethylpyrazol-3-yl)acetonitrile
SMILESCCn1nccc1CC#N
InChIInChI=1S/C7H9N3/c1-2-10-7(3-5-8)4-6-9-10/h4,6H,2-3H2,1H3
InChIKeyLMFKAQYRLYSXEZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.97
Rot. Bonds2

About 2-(2-ethylpyrazol-3-yl)acetonitrile

2-(2-ethylpyrazol-3-yl)acetonitrile (PubChem CID 50896776) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)acetonitrile
PubChem CID50896776
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-(2-ethylpyrazol-3-yl)acetonitrile
SMILESCCn1nccc1CC#N
InChIInChI=1S/C7H9N3/c1-2-10-7(3-5-8)4-6-9-10/h4,6H,2-3H2,1H3
InChIKeyLMFKAQYRLYSXEZ-UHFFFAOYSA-N
XLogP0.97
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)acetonitrile?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)acetonitrile (CID 50896776) is 2-(2-ethylpyrazol-3-yl)acetonitrile.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)acetonitrile?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)acetonitrile is CCn1nccc1CC#N.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)acetonitrile?
The InChIKey is LMFKAQYRLYSXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-10-7(3-5-8)4-6-9-10/h4,6H,2-3H2,1H3.
What are the key properties of 2-(2-ethylpyrazol-3-yl)acetonitrile?
2-(2-ethylpyrazol-3-yl)acetonitrile has a molecular weight of 135.17 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)acetonitrile is sourced from PubChem (CID 50896776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).