5-ethyl-1H-pyrazole-4-carbonitrile

C6H7N3 — CID 82650960

IUPAC5-ethyl-1H-pyrazole-4-carbonitrile
SMILESCCc1[nH]ncc1C#N
InChIInChI=1S/C6H7N3/c1-2-6-5(3-7)4-8-9-6/h4H,2H2,1H3,(H,8,9)
InChIKeyBOWRYAHOHXEWAY-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.84
Rot. Bonds1

About 5-ethyl-1H-pyrazole-4-carbonitrile

5-ethyl-1H-pyrazole-4-carbonitrile (PubChem CID 82650960) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 5-ethyl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1H-pyrazole-4-carbonitrile
PubChem CID82650960
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name5-ethyl-1H-pyrazole-4-carbonitrile
SMILESCCc1[nH]ncc1C#N
InChIInChI=1S/C6H7N3/c1-2-6-5(3-7)4-8-9-6/h4H,2H2,1H3,(H,8,9)
InChIKeyBOWRYAHOHXEWAY-UHFFFAOYSA-N
XLogP0.84
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-ethyl-1H-pyrazole-4-carbonitrile (CID 82650960) is 5-ethyl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-ethyl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-ethyl-1H-pyrazole-4-carbonitrile is CCc1[nH]ncc1C#N.
What is the InChIKey of 5-ethyl-1H-pyrazole-4-carbonitrile?
The InChIKey is BOWRYAHOHXEWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-6-5(3-7)4-8-9-6/h4H,2H2,1H3,(H,8,9).
What are the key properties of 5-ethyl-1H-pyrazole-4-carbonitrile?
5-ethyl-1H-pyrazole-4-carbonitrile has a molecular weight of 121.14 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 82650960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).