5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole

C8H9FN2 — CID 90732791

IUPAC5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole
SMILESC=C(/C=C/CF)c1ccn[nH]1
InChIInChI=1S/C8H9FN2/c1-7(3-2-5-9)8-4-6-10-11-8/h2-4,6H,1,5H2,(H,10,11)/b3-2+
InChIKeyUHKKROHSPFVUIB-NSCUHMNNSA-N
MW152.17 g/mol
LogP1.95
Rot. Bonds3

About 5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole

5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole (PubChem CID 90732791) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole
PubChem CID90732791
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole
SMILESC=C(/C=C/CF)c1ccn[nH]1
InChIInChI=1S/C8H9FN2/c1-7(3-2-5-9)8-4-6-10-11-8/h2-4,6H,1,5H2,(H,10,11)/b3-2+
InChIKeyUHKKROHSPFVUIB-NSCUHMNNSA-N
XLogP1.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole?
The IUPAC name of 5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole (CID 90732791) is 5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole is C=C(/C=C/CF)c1ccn[nH]1.
What is the InChIKey of 5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole?
The InChIKey is UHKKROHSPFVUIB-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H9FN2/c1-7(3-2-5-9)8-4-6-10-11-8/h2-4,6H,1,5H2,(H,10,11)/b3-2+.
What are the key properties of 5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole?
5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole has a molecular weight of 152.17 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E)-5-fluoropenta-1,3-dien-2-yl]-1H-pyrazole is sourced from PubChem (CID 90732791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).