(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole

C8H9FN2 — CID 144719697

IUPAC(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole
SMILESC=c1cn[nH]/c1=C/C(F)=C\C
InChIInChI=1S/C8H9FN2/c1-3-7(9)4-8-6(2)5-10-11-8/h3-5,11H,2H2,1H3/b7-3+,8-4+
InChIKeyRNDMNKGPZGKDHJ-FCXRPNKRSA-N
MW152.17 g/mol
LogP0.47
Rot. Bonds1

About (5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole

(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole (PubChem CID 144719697) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is (5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole.

Molecular Properties

Compound Name(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole
PubChem CID144719697
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole
SMILESC=c1cn[nH]/c1=C/C(F)=C\C
InChIInChI=1S/C8H9FN2/c1-3-7(9)4-8-6(2)5-10-11-8/h3-5,11H,2H2,1H3/b7-3+,8-4+
InChIKeyRNDMNKGPZGKDHJ-FCXRPNKRSA-N
XLogP0.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole?
The IUPAC name of (5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole (CID 144719697) is (5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole.
What is the SMILES notation for (5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole?
The canonical SMILES for (5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole is C=c1cn[nH]/c1=C/C(F)=C\C.
What is the InChIKey of (5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole?
The InChIKey is RNDMNKGPZGKDHJ-FCXRPNKRSA-N. The full InChI is InChI=1S/C8H9FN2/c1-3-7(9)4-8-6(2)5-10-11-8/h3-5,11H,2H2,1H3/b7-3+,8-4+.
What are the key properties of (5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole?
(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole has a molecular weight of 152.17 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylidene-1H-pyrazole is sourced from PubChem (CID 144719697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).