5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole

C5H9FN2 — CID 89099118

IUPAC5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole
SMILESCC(F)C1CC=NN1
InChIInChI=1S/C5H9FN2/c1-4(6)5-2-3-7-8-5/h3-5,8H,2H2,1H3
InChIKeyLQKDDYACJGTUIX-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.69
Rot. Bonds1

About 5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole

5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole (PubChem CID 89099118) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole
PubChem CID89099118
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole
SMILESCC(F)C1CC=NN1
InChIInChI=1S/C5H9FN2/c1-4(6)5-2-3-7-8-5/h3-5,8H,2H2,1H3
InChIKeyLQKDDYACJGTUIX-UHFFFAOYSA-N
XLogP0.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole (CID 89099118) is 5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole is CC(F)C1CC=NN1.
What is the InChIKey of 5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is LQKDDYACJGTUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2/c1-4(6)5-2-3-7-8-5/h3-5,8H,2H2,1H3.
What are the key properties of 5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole?
5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 116.14 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 89099118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).