1-ethenyl-5-methylpyrazole-4-carbonitrile

C7H7N3 — CID 86043818

IUPAC1-ethenyl-5-methylpyrazole-4-carbonitrile
SMILESC=Cn1ncc(C#N)c1C
InChIInChI=1S/C7H7N3/c1-3-10-6(2)7(4-8)5-9-10/h3,5H,1H2,2H3
InChIKeyQEYXFNBUMVKCNR-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.16
Rot. Bonds1

About 1-ethenyl-5-methylpyrazole-4-carbonitrile

1-ethenyl-5-methylpyrazole-4-carbonitrile (PubChem CID 86043818) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-ethenyl-5-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-ethenyl-5-methylpyrazole-4-carbonitrile
PubChem CID86043818
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name1-ethenyl-5-methylpyrazole-4-carbonitrile
SMILESC=Cn1ncc(C#N)c1C
InChIInChI=1S/C7H7N3/c1-3-10-6(2)7(4-8)5-9-10/h3,5H,1H2,2H3
InChIKeyQEYXFNBUMVKCNR-UHFFFAOYSA-N
XLogP1.16
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-methylpyrazole-4-carbonitrile?
The IUPAC name of 1-ethenyl-5-methylpyrazole-4-carbonitrile (CID 86043818) is 1-ethenyl-5-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-ethenyl-5-methylpyrazole-4-carbonitrile?
The canonical SMILES for 1-ethenyl-5-methylpyrazole-4-carbonitrile is C=Cn1ncc(C#N)c1C.
What is the InChIKey of 1-ethenyl-5-methylpyrazole-4-carbonitrile?
The InChIKey is QEYXFNBUMVKCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-3-10-6(2)7(4-8)5-9-10/h3,5H,1H2,2H3.
What are the key properties of 1-ethenyl-5-methylpyrazole-4-carbonitrile?
1-ethenyl-5-methylpyrazole-4-carbonitrile has a molecular weight of 133.15 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 86043818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).