3-methoxy-5-(trifluoromethyl)-1H-pyrazole

C5H5F3N2O — CID 91245360

IUPAC3-methoxy-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C5H5F3N2O/c1-11-4-2-3(9-10-4)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyBKPRJOYFZDPAEK-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.44
Rot. Bonds1

About 3-methoxy-5-(trifluoromethyl)-1H-pyrazole

3-methoxy-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 91245360) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is 3-methoxy-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-methoxy-5-(trifluoromethyl)-1H-pyrazole
PubChem CID91245360
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name3-methoxy-5-(trifluoromethyl)-1H-pyrazole
SMILESCOc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C5H5F3N2O/c1-11-4-2-3(9-10-4)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyBKPRJOYFZDPAEK-UHFFFAOYSA-N
XLogP1.44
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-methoxy-5-(trifluoromethyl)-1H-pyrazole (CID 91245360) is 3-methoxy-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-methoxy-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-methoxy-5-(trifluoromethyl)-1H-pyrazole is COc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 3-methoxy-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is BKPRJOYFZDPAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c1-11-4-2-3(9-10-4)5(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of 3-methoxy-5-(trifluoromethyl)-1H-pyrazole?
3-methoxy-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 166.10 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 91245360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).