2-methylpyrazole-3-carbonitrile

C5H5N3 — CID 13464587

IUPAC2-methylpyrazole-3-carbonitrile
SMILESCn1nccc1C#N
InChIInChI=1S/C5H5N3/c1-8-5(4-6)2-3-7-8/h2-3H,1H3
InChIKeyWMZMVWZFGUVSTA-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.29
Rot. Bonds

About 2-methylpyrazole-3-carbonitrile

2-methylpyrazole-3-carbonitrile (PubChem CID 13464587) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 2-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-methylpyrazole-3-carbonitrile
PubChem CID13464587
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name2-methylpyrazole-3-carbonitrile
SMILESCn1nccc1C#N
InChIInChI=1S/C5H5N3/c1-8-5(4-6)2-3-7-8/h2-3H,1H3
InChIKeyWMZMVWZFGUVSTA-UHFFFAOYSA-N
XLogP0.29
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazole-3-carbonitrile?
The IUPAC name of 2-methylpyrazole-3-carbonitrile (CID 13464587) is 2-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 2-methylpyrazole-3-carbonitrile?
The canonical SMILES for 2-methylpyrazole-3-carbonitrile is Cn1nccc1C#N.
What is the InChIKey of 2-methylpyrazole-3-carbonitrile?
The InChIKey is WMZMVWZFGUVSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c1-8-5(4-6)2-3-7-8/h2-3H,1H3.
What are the key properties of 2-methylpyrazole-3-carbonitrile?
2-methylpyrazole-3-carbonitrile has a molecular weight of 107.12 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 13464587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).