1-[2-(3,5-difluorophenoxy)ethyl]pyrazole

C11H10F2N2O — CID 141414872

IUPAC1-[2-(3,5-difluorophenoxy)ethyl]pyrazole
SMILESFc1cc(F)cc(OCCn2cccn2)c1
InChIInChI=1S/C11H10F2N2O/c12-9-6-10(13)8-11(7-9)16-5-4-15-3-1-2-14-15/h1-3,6-8H,4-5H2
InChIKeySDRSTCCDSLEZPP-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.24
Rot. Bonds4

About 1-[2-(3,5-difluorophenoxy)ethyl]pyrazole

1-[2-(3,5-difluorophenoxy)ethyl]pyrazole (PubChem CID 141414872) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenoxy)ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenoxy)ethyl]pyrazole
PubChem CID141414872
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name1-[2-(3,5-difluorophenoxy)ethyl]pyrazole
SMILESFc1cc(F)cc(OCCn2cccn2)c1
InChIInChI=1S/C11H10F2N2O/c12-9-6-10(13)8-11(7-9)16-5-4-15-3-1-2-14-15/h1-3,6-8H,4-5H2
InChIKeySDRSTCCDSLEZPP-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenoxy)ethyl]pyrazole?
The IUPAC name of 1-[2-(3,5-difluorophenoxy)ethyl]pyrazole (CID 141414872) is 1-[2-(3,5-difluorophenoxy)ethyl]pyrazole.
What is the SMILES notation for 1-[2-(3,5-difluorophenoxy)ethyl]pyrazole?
The canonical SMILES for 1-[2-(3,5-difluorophenoxy)ethyl]pyrazole is Fc1cc(F)cc(OCCn2cccn2)c1.
What is the InChIKey of 1-[2-(3,5-difluorophenoxy)ethyl]pyrazole?
The InChIKey is SDRSTCCDSLEZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-9-6-10(13)8-11(7-9)16-5-4-15-3-1-2-14-15/h1-3,6-8H,4-5H2.
What are the key properties of 1-[2-(3,5-difluorophenoxy)ethyl]pyrazole?
1-[2-(3,5-difluorophenoxy)ethyl]pyrazole has a molecular weight of 224.21 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenoxy)ethyl]pyrazole is sourced from PubChem (CID 141414872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).