4-ethenyl-1H-pyrazole

C5H6N2 — CID 22280261

IUPAC4-ethenyl-1H-pyrazole
SMILESC=Cc1cn[nH]c1
InChIInChI=1S/C5H6N2/c1-2-5-3-6-7-4-5/h2-4H,1H2,(H,6,7)
InChIKeyUMRPGBHVNGOFMG-UHFFFAOYSA-N
MW94.12 g/mol
LogP1.05
Rot. Bonds1

About 4-ethenyl-1H-pyrazole

4-ethenyl-1H-pyrazole (PubChem CID 22280261) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 4-ethenyl-1H-pyrazole.

Molecular Properties

Compound Name4-ethenyl-1H-pyrazole
PubChem CID22280261
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name4-ethenyl-1H-pyrazole
SMILESC=Cc1cn[nH]c1
InChIInChI=1S/C5H6N2/c1-2-5-3-6-7-4-5/h2-4H,1H2,(H,6,7)
InChIKeyUMRPGBHVNGOFMG-UHFFFAOYSA-N
XLogP1.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1H-pyrazole?
The IUPAC name of 4-ethenyl-1H-pyrazole (CID 22280261) is 4-ethenyl-1H-pyrazole.
What is the SMILES notation for 4-ethenyl-1H-pyrazole?
The canonical SMILES for 4-ethenyl-1H-pyrazole is C=Cc1cn[nH]c1.
What is the InChIKey of 4-ethenyl-1H-pyrazole?
The InChIKey is UMRPGBHVNGOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-2-5-3-6-7-4-5/h2-4H,1H2,(H,6,7).
What are the key properties of 4-ethenyl-1H-pyrazole?
4-ethenyl-1H-pyrazole has a molecular weight of 94.12 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1H-pyrazole is sourced from PubChem (CID 22280261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).