5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole

C11H8F4N2 — CID 151151605

IUPAC5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C11H8F4N2/c12-6-9-5-10(17-16-9)7-1-3-8(4-2-7)11(13,14)15/h1-5H,6H2,(H,16,17)
InChIKeyMYIMPNOYUZVFJZ-UHFFFAOYSA-N
MW244.19 g/mol
LogP3.57
Rot. Bonds2

About 5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole

5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 151151605) has the molecular formula C11H8F4N2 and a molecular weight of 244.19 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID151151605
Molecular FormulaC11H8F4N2
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESFCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C11H8F4N2/c12-6-9-5-10(17-16-9)7-1-3-8(4-2-7)11(13,14)15/h1-5H,6H2,(H,16,17)
InChIKeyMYIMPNOYUZVFJZ-UHFFFAOYSA-N
XLogP3.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole (CID 151151605) is 5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole is FCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1.
What is the InChIKey of 5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is MYIMPNOYUZVFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2/c12-6-9-5-10(17-16-9)7-1-3-8(4-2-7)11(13,14)15/h1-5H,6H2,(H,16,17).
What are the key properties of 5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole has a molecular weight of 244.19 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 151151605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).