2-(1,5-dimethylpyrazol-3-yl)acetonitrile

C7H9N3 — CID 53415552

IUPAC2-(1,5-dimethylpyrazol-3-yl)acetonitrile
SMILESCc1cc(CC#N)nn1C
InChIInChI=1S/C7H9N3/c1-6-5-7(3-4-8)9-10(6)2/h5H,3H2,1-2H3
InChIKeyVATJIQKCMWMOIF-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.79
Rot. Bonds1

About 2-(1,5-dimethylpyrazol-3-yl)acetonitrile

2-(1,5-dimethylpyrazol-3-yl)acetonitrile (PubChem CID 53415552) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-3-yl)acetonitrile
PubChem CID53415552
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-(1,5-dimethylpyrazol-3-yl)acetonitrile
SMILESCc1cc(CC#N)nn1C
InChIInChI=1S/C7H9N3/c1-6-5-7(3-4-8)9-10(6)2/h5H,3H2,1-2H3
InChIKeyVATJIQKCMWMOIF-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)acetonitrile?
The IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)acetonitrile (CID 53415552) is 2-(1,5-dimethylpyrazol-3-yl)acetonitrile.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-3-yl)acetonitrile?
The canonical SMILES for 2-(1,5-dimethylpyrazol-3-yl)acetonitrile is Cc1cc(CC#N)nn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-3-yl)acetonitrile?
The InChIKey is VATJIQKCMWMOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-6-5-7(3-4-8)9-10(6)2/h5H,3H2,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-3-yl)acetonitrile?
2-(1,5-dimethylpyrazol-3-yl)acetonitrile has a molecular weight of 135.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-3-yl)acetonitrile is sourced from PubChem (CID 53415552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).