3-ethenyl-5-fluoro-1H-pyrazole

C5H5FN2 — CID 68999636

IUPAC3-ethenyl-5-fluoro-1H-pyrazole
SMILESC=Cc1cc(F)[nH]n1
InChIInChI=1S/C5H5FN2/c1-2-4-3-5(6)8-7-4/h2-3H,1H2,(H,7,8)
InChIKeyRRRXFUIRTSBRBT-UHFFFAOYSA-N
MW112.11 g/mol
LogP1.19
Rot. Bonds1

About 3-ethenyl-5-fluoro-1H-pyrazole

3-ethenyl-5-fluoro-1H-pyrazole (PubChem CID 68999636) has the molecular formula C5H5FN2 and a molecular weight of 112.11 g/mol. Its IUPAC name is 3-ethenyl-5-fluoro-1H-pyrazole.

Molecular Properties

Compound Name3-ethenyl-5-fluoro-1H-pyrazole
PubChem CID68999636
Molecular FormulaC5H5FN2
Molecular Weight112.11 g/mol
Exact Mass112.04
IUPAC Name3-ethenyl-5-fluoro-1H-pyrazole
SMILESC=Cc1cc(F)[nH]n1
InChIInChI=1S/C5H5FN2/c1-2-4-3-5(6)8-7-4/h2-3H,1H2,(H,7,8)
InChIKeyRRRXFUIRTSBRBT-UHFFFAOYSA-N
XLogP1.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-fluoro-1H-pyrazole?
The IUPAC name of 3-ethenyl-5-fluoro-1H-pyrazole (CID 68999636) is 3-ethenyl-5-fluoro-1H-pyrazole.
What is the SMILES notation for 3-ethenyl-5-fluoro-1H-pyrazole?
The canonical SMILES for 3-ethenyl-5-fluoro-1H-pyrazole is C=Cc1cc(F)[nH]n1.
What is the InChIKey of 3-ethenyl-5-fluoro-1H-pyrazole?
The InChIKey is RRRXFUIRTSBRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2/c1-2-4-3-5(6)8-7-4/h2-3H,1H2,(H,7,8).
What are the key properties of 3-ethenyl-5-fluoro-1H-pyrazole?
3-ethenyl-5-fluoro-1H-pyrazole has a molecular weight of 112.11 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-fluoro-1H-pyrazole is sourced from PubChem (CID 68999636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).