3,4,5-tris(trifluoromethyl)-1H-pyrazole

C6HF9N2 — CID 13245508

IUPAC3,4,5-tris(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1n[nH]c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C6HF9N2/c7-4(8,9)1-2(5(10,11)12)16-17-3(1)6(13,14)15/h(H,16,17)
InChIKeyFTPCKDUEVYSIIY-UHFFFAOYSA-N
MW272.07 g/mol
LogP3.47
Rot. Bonds

About 3,4,5-tris(trifluoromethyl)-1H-pyrazole

3,4,5-tris(trifluoromethyl)-1H-pyrazole (PubChem CID 13245508) has the molecular formula C6HF9N2 and a molecular weight of 272.07 g/mol. Its IUPAC name is 3,4,5-tris(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3,4,5-tris(trifluoromethyl)-1H-pyrazole
PubChem CID13245508
Molecular FormulaC6HF9N2
Molecular Weight272.07 g/mol
Exact Mass272.00
IUPAC Name3,4,5-tris(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1n[nH]c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C6HF9N2/c7-4(8,9)1-2(5(10,11)12)16-17-3(1)6(13,14)15/h(H,16,17)
InChIKeyFTPCKDUEVYSIIY-UHFFFAOYSA-N
XLogP3.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3,4,5-tris(trifluoromethyl)-1H-pyrazole (CID 13245508) is 3,4,5-tris(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3,4,5-tris(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3,4,5-tris(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1n[nH]c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 3,4,5-tris(trifluoromethyl)-1H-pyrazole?
The InChIKey is FTPCKDUEVYSIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF9N2/c7-4(8,9)1-2(5(10,11)12)16-17-3(1)6(13,14)15/h(H,16,17).
What are the key properties of 3,4,5-tris(trifluoromethyl)-1H-pyrazole?
3,4,5-tris(trifluoromethyl)-1H-pyrazole has a molecular weight of 272.07 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 13245508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).