3-ethyl-1-methylpyrazole-4-carbonitrile

C7H9N3 — CID 82651107

IUPAC3-ethyl-1-methylpyrazole-4-carbonitrile
SMILESCCc1nn(C)cc1C#N
InChIInChI=1S/C7H9N3/c1-3-7-6(4-8)5-10(2)9-7/h5H,3H2,1-2H3
InChIKeyXMUZOPRQQMHJBI-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.85
Rot. Bonds1

About 3-ethyl-1-methylpyrazole-4-carbonitrile

3-ethyl-1-methylpyrazole-4-carbonitrile (PubChem CID 82651107) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-ethyl-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-methylpyrazole-4-carbonitrile
PubChem CID82651107
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name3-ethyl-1-methylpyrazole-4-carbonitrile
SMILESCCc1nn(C)cc1C#N
InChIInChI=1S/C7H9N3/c1-3-7-6(4-8)5-10(2)9-7/h5H,3H2,1-2H3
InChIKeyXMUZOPRQQMHJBI-UHFFFAOYSA-N
XLogP0.85
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 3-ethyl-1-methylpyrazole-4-carbonitrile (CID 82651107) is 3-ethyl-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-ethyl-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 3-ethyl-1-methylpyrazole-4-carbonitrile is CCc1nn(C)cc1C#N.
What is the InChIKey of 3-ethyl-1-methylpyrazole-4-carbonitrile?
The InChIKey is XMUZOPRQQMHJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-7-6(4-8)5-10(2)9-7/h5H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methylpyrazole-4-carbonitrile?
3-ethyl-1-methylpyrazole-4-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 82651107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).