5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole

C16H10F4N2O — CID 59363988

IUPAC5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESFc1ccccc1-c1cc(-c2cccc(OC(F)(F)F)c2)n[nH]1
InChIInChI=1S/C16H10F4N2O/c17-13-7-2-1-6-12(13)15-9-14(21-22-15)10-4-3-5-11(8-10)23-16(18,19)20/h1-9H,(H,21,22)
InChIKeyGJAMTGKDUTYPKK-UHFFFAOYSA-N
MW322.26 g/mol
LogP4.78
Rot. Bonds3

About 5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole

5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole (PubChem CID 59363988) has the molecular formula C16H10F4N2O and a molecular weight of 322.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
PubChem CID59363988
Molecular FormulaC16H10F4N2O
Molecular Weight322.26 g/mol
Exact Mass322.07
IUPAC Name5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESFc1ccccc1-c1cc(-c2cccc(OC(F)(F)F)c2)n[nH]1
InChIInChI=1S/C16H10F4N2O/c17-13-7-2-1-6-12(13)15-9-14(21-22-15)10-4-3-5-11(8-10)23-16(18,19)20/h1-9H,(H,21,22)
InChIKeyGJAMTGKDUTYPKK-UHFFFAOYSA-N
XLogP4.78
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole (CID 59363988) is 5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole is Fc1ccccc1-c1cc(-c2cccc(OC(F)(F)F)c2)n[nH]1.
What is the InChIKey of 5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole?
The InChIKey is GJAMTGKDUTYPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O/c17-13-7-2-1-6-12(13)15-9-14(21-22-15)10-4-3-5-11(8-10)23-16(18,19)20/h1-9H,(H,21,22).
What are the key properties of 5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole?
5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole has a molecular weight of 322.26 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 59363988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).