5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole

C17H15FN2O — CID 1479905

IUPAC5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole
SMILESC[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn[nH]1
InChIInChI=1S/C17H15FN2O/c1-12(17-9-10-19-20-17)21-14-7-8-15(16(18)11-14)13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20)/t12-/m0/s1
InChIKeyUBAFDXPVXZRZDX-LBPRGKRZSA-N
MW282.32 g/mol
LogP4.36
Rot. Bonds4

About 5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole

5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole (PubChem CID 1479905) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole
PubChem CID1479905
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole
SMILESC[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn[nH]1
InChIInChI=1S/C17H15FN2O/c1-12(17-9-10-19-20-17)21-14-7-8-15(16(18)11-14)13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20)/t12-/m0/s1
InChIKeyUBAFDXPVXZRZDX-LBPRGKRZSA-N
XLogP4.36
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole?
The IUPAC name of 5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole (CID 1479905) is 5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole.
What is the SMILES notation for 5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole?
The canonical SMILES for 5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole is C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn[nH]1.
What is the InChIKey of 5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole?
The InChIKey is UBAFDXPVXZRZDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-12(17-9-10-19-20-17)21-14-7-8-15(16(18)11-14)13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole?
5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole has a molecular weight of 282.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(3-fluoro-4-phenylphenoxy)ethyl]-1H-pyrazole is sourced from PubChem (CID 1479905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).