3-ethenyl-4,5-difluoro-1H-pyrazole

C5H4F2N2 — CID 91088688

IUPAC3-ethenyl-4,5-difluoro-1H-pyrazole
SMILESC=Cc1n[nH]c(F)c1F
InChIInChI=1S/C5H4F2N2/c1-2-3-4(6)5(7)9-8-3/h2H,1H2,(H,8,9)
InChIKeyGGKOXHUGTMPVJE-UHFFFAOYSA-N
MW130.10 g/mol
LogP1.33
Rot. Bonds1

About 3-ethenyl-4,5-difluoro-1H-pyrazole

3-ethenyl-4,5-difluoro-1H-pyrazole (PubChem CID 91088688) has the molecular formula C5H4F2N2 and a molecular weight of 130.10 g/mol. Its IUPAC name is 3-ethenyl-4,5-difluoro-1H-pyrazole.

Molecular Properties

Compound Name3-ethenyl-4,5-difluoro-1H-pyrazole
PubChem CID91088688
Molecular FormulaC5H4F2N2
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name3-ethenyl-4,5-difluoro-1H-pyrazole
SMILESC=Cc1n[nH]c(F)c1F
InChIInChI=1S/C5H4F2N2/c1-2-3-4(6)5(7)9-8-3/h2H,1H2,(H,8,9)
InChIKeyGGKOXHUGTMPVJE-UHFFFAOYSA-N
XLogP1.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4,5-difluoro-1H-pyrazole?
The IUPAC name of 3-ethenyl-4,5-difluoro-1H-pyrazole (CID 91088688) is 3-ethenyl-4,5-difluoro-1H-pyrazole.
What is the SMILES notation for 3-ethenyl-4,5-difluoro-1H-pyrazole?
The canonical SMILES for 3-ethenyl-4,5-difluoro-1H-pyrazole is C=Cc1n[nH]c(F)c1F.
What is the InChIKey of 3-ethenyl-4,5-difluoro-1H-pyrazole?
The InChIKey is GGKOXHUGTMPVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2/c1-2-3-4(6)5(7)9-8-3/h2H,1H2,(H,8,9).
What are the key properties of 3-ethenyl-4,5-difluoro-1H-pyrazole?
3-ethenyl-4,5-difluoro-1H-pyrazole has a molecular weight of 130.10 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4,5-difluoro-1H-pyrazole is sourced from PubChem (CID 91088688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).