4-(trifluoromethoxy)-1H-pyrazole

C4H3F3N2O — CID 76545935

IUPAC4-(trifluoromethoxy)-1H-pyrazole
SMILESFC(F)(F)Oc1cn[nH]c1
InChIInChI=1S/C4H3F3N2O/c5-4(6,7)10-3-1-8-9-2-3/h1-2H,(H,8,9)
InChIKeyIKVZCLXJNQREIQ-UHFFFAOYSA-N
MW152.07 g/mol
LogP1.31
Rot. Bonds1

About 4-(trifluoromethoxy)-1H-pyrazole

4-(trifluoromethoxy)-1H-pyrazole (PubChem CID 76545935) has the molecular formula C4H3F3N2O and a molecular weight of 152.07 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-(trifluoromethoxy)-1H-pyrazole
PubChem CID76545935
Molecular FormulaC4H3F3N2O
Molecular Weight152.07 g/mol
Exact Mass152.02
IUPAC Name4-(trifluoromethoxy)-1H-pyrazole
SMILESFC(F)(F)Oc1cn[nH]c1
InChIInChI=1S/C4H3F3N2O/c5-4(6,7)10-3-1-8-9-2-3/h1-2H,(H,8,9)
InChIKeyIKVZCLXJNQREIQ-UHFFFAOYSA-N
XLogP1.31
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-1H-pyrazole?
The IUPAC name of 4-(trifluoromethoxy)-1H-pyrazole (CID 76545935) is 4-(trifluoromethoxy)-1H-pyrazole.
What is the SMILES notation for 4-(trifluoromethoxy)-1H-pyrazole?
The canonical SMILES for 4-(trifluoromethoxy)-1H-pyrazole is FC(F)(F)Oc1cn[nH]c1.
What is the InChIKey of 4-(trifluoromethoxy)-1H-pyrazole?
The InChIKey is IKVZCLXJNQREIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O/c5-4(6,7)10-3-1-8-9-2-3/h1-2H,(H,8,9).
What are the key properties of 4-(trifluoromethoxy)-1H-pyrazole?
4-(trifluoromethoxy)-1H-pyrazole has a molecular weight of 152.07 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-1H-pyrazole is sourced from PubChem (CID 76545935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).