3,4-bis(ethenyl)-5-fluoro-1H-pyrazole

C7H7FN2 — CID 143818558

IUPAC3,4-bis(ethenyl)-5-fluoro-1H-pyrazole
SMILESC=Cc1n[nH]c(F)c1C=C
InChIInChI=1S/C7H7FN2/c1-3-5-6(4-2)9-10-7(5)8/h3-4H,1-2H2,(H,9,10)
InChIKeyCSCIZJZEVWFMCD-UHFFFAOYSA-N
MW138.14 g/mol
LogP1.83
Rot. Bonds2

About 3,4-bis(ethenyl)-5-fluoro-1H-pyrazole

3,4-bis(ethenyl)-5-fluoro-1H-pyrazole (PubChem CID 143818558) has the molecular formula C7H7FN2 and a molecular weight of 138.14 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-5-fluoro-1H-pyrazole.

Molecular Properties

Compound Name3,4-bis(ethenyl)-5-fluoro-1H-pyrazole
PubChem CID143818558
Molecular FormulaC7H7FN2
Molecular Weight138.14 g/mol
Exact Mass138.06
IUPAC Name3,4-bis(ethenyl)-5-fluoro-1H-pyrazole
SMILESC=Cc1n[nH]c(F)c1C=C
InChIInChI=1S/C7H7FN2/c1-3-5-6(4-2)9-10-7(5)8/h3-4H,1-2H2,(H,9,10)
InChIKeyCSCIZJZEVWFMCD-UHFFFAOYSA-N
XLogP1.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-5-fluoro-1H-pyrazole?
The IUPAC name of 3,4-bis(ethenyl)-5-fluoro-1H-pyrazole (CID 143818558) is 3,4-bis(ethenyl)-5-fluoro-1H-pyrazole.
What is the SMILES notation for 3,4-bis(ethenyl)-5-fluoro-1H-pyrazole?
The canonical SMILES for 3,4-bis(ethenyl)-5-fluoro-1H-pyrazole is C=Cc1n[nH]c(F)c1C=C.
What is the InChIKey of 3,4-bis(ethenyl)-5-fluoro-1H-pyrazole?
The InChIKey is CSCIZJZEVWFMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2/c1-3-5-6(4-2)9-10-7(5)8/h3-4H,1-2H2,(H,9,10).
What are the key properties of 3,4-bis(ethenyl)-5-fluoro-1H-pyrazole?
3,4-bis(ethenyl)-5-fluoro-1H-pyrazole has a molecular weight of 138.14 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-5-fluoro-1H-pyrazole is sourced from PubChem (CID 143818558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).