5-(trifluoromethoxymethyl)-1H-pyrazole

C5H5F3N2O — CID 142348499

IUPAC5-(trifluoromethoxymethyl)-1H-pyrazole
SMILESFC(F)(F)OCc1ccn[nH]1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)11-3-4-1-2-9-10-4/h1-2H,3H2,(H,9,10)
InChIKeyLHFKANGZQVPWFD-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.45
Rot. Bonds2

About 5-(trifluoromethoxymethyl)-1H-pyrazole

5-(trifluoromethoxymethyl)-1H-pyrazole (PubChem CID 142348499) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 5-(trifluoromethoxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(trifluoromethoxymethyl)-1H-pyrazole
PubChem CID142348499
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name5-(trifluoromethoxymethyl)-1H-pyrazole
SMILESFC(F)(F)OCc1ccn[nH]1
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)11-3-4-1-2-9-10-4/h1-2H,3H2,(H,9,10)
InChIKeyLHFKANGZQVPWFD-UHFFFAOYSA-N
XLogP1.45
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxymethyl)-1H-pyrazole?
The IUPAC name of 5-(trifluoromethoxymethyl)-1H-pyrazole (CID 142348499) is 5-(trifluoromethoxymethyl)-1H-pyrazole.
What is the SMILES notation for 5-(trifluoromethoxymethyl)-1H-pyrazole?
The canonical SMILES for 5-(trifluoromethoxymethyl)-1H-pyrazole is FC(F)(F)OCc1ccn[nH]1.
What is the InChIKey of 5-(trifluoromethoxymethyl)-1H-pyrazole?
The InChIKey is LHFKANGZQVPWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)11-3-4-1-2-9-10-4/h1-2H,3H2,(H,9,10).
What are the key properties of 5-(trifluoromethoxymethyl)-1H-pyrazole?
5-(trifluoromethoxymethyl)-1H-pyrazole has a molecular weight of 166.10 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxymethyl)-1H-pyrazole is sourced from PubChem (CID 142348499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).