5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole

C11H6F6N2 — CID 141155968

IUPAC5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(-c2ccn[nH]2)c(C(F)(F)F)c1
InChIInChI=1S/C11H6F6N2/c12-10(13,14)6-1-2-7(9-3-4-18-19-9)8(5-6)11(15,16)17/h1-5H,(H,18,19)
InChIKeyLVIYBYZQLFUZAF-UHFFFAOYSA-N
MW280.17 g/mol
LogP4.11
Rot. Bonds1

About 5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole

5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 141155968) has the molecular formula C11H6F6N2 and a molecular weight of 280.17 g/mol. Its IUPAC name is 5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID141155968
Molecular FormulaC11H6F6N2
Molecular Weight280.17 g/mol
Exact Mass280.04
IUPAC Name5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFC(F)(F)c1ccc(-c2ccn[nH]2)c(C(F)(F)F)c1
InChIInChI=1S/C11H6F6N2/c12-10(13,14)6-1-2-7(9-3-4-18-19-9)8(5-6)11(15,16)17/h1-5H,(H,18,19)
InChIKeyLVIYBYZQLFUZAF-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole (CID 141155968) is 5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole is FC(F)(F)c1ccc(-c2ccn[nH]2)c(C(F)(F)F)c1.
What is the InChIKey of 5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is LVIYBYZQLFUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2/c12-10(13,14)6-1-2-7(9-3-4-18-19-9)8(5-6)11(15,16)17/h1-5H,(H,18,19).
What are the key properties of 5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole?
5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole has a molecular weight of 280.17 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 141155968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).