5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole

C9H9F3N2O — CID 134398801

IUPAC5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole
SMILESFC(F)(F)[C@H]1C[C@H]2C(Oc3ccn[nH]3)[C@H]21
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-3-4-7(5)8(4)15-6-1-2-13-14-6/h1-2,4-5,7-8H,3H2,(H,13,14)/t4-,5+,7-,8?/m1/s1
InChIKeyKRENYOAJKHYBDB-FIQAEDTNSA-N
MW218.18 g/mol
LogP1.99
Rot. Bonds2

About 5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole

5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole (PubChem CID 134398801) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole
PubChem CID134398801
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole
SMILESFC(F)(F)[C@H]1C[C@H]2C(Oc3ccn[nH]3)[C@H]21
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-3-4-7(5)8(4)15-6-1-2-13-14-6/h1-2,4-5,7-8H,3H2,(H,13,14)/t4-,5+,7-,8?/m1/s1
InChIKeyKRENYOAJKHYBDB-FIQAEDTNSA-N
XLogP1.99
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole?
The IUPAC name of 5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole (CID 134398801) is 5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole.
What is the SMILES notation for 5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole?
The canonical SMILES for 5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole is FC(F)(F)[C@H]1C[C@H]2C(Oc3ccn[nH]3)[C@H]21.
What is the InChIKey of 5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole?
The InChIKey is KRENYOAJKHYBDB-FIQAEDTNSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)5-3-4-7(5)8(4)15-6-1-2-13-14-6/h1-2,4-5,7-8H,3H2,(H,13,14)/t4-,5+,7-,8?/m1/s1.
What are the key properties of 5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole?
5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole has a molecular weight of 218.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S,4R)-2-(trifluoromethyl)-5-bicyclo[2.1.0]pentanyl]oxy]-1H-pyrazole is sourced from PubChem (CID 134398801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).