5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole

C20H19F3N2O — CID 118418307

IUPAC5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole
SMILESCC(C)(c1ccn[nH]1)c1cc(C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C20H19F3N2O/c1-19(2,18-10-11-24-25-18)16-12-15(20(21,22)23)8-9-17(16)26-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyWXYHQVQMBNSWNC-UHFFFAOYSA-N
MW360.38 g/mol
LogP5.33
Rot. Bonds5

About 5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole

5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole (PubChem CID 118418307) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole
PubChem CID118418307
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole
SMILESCC(C)(c1ccn[nH]1)c1cc(C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C20H19F3N2O/c1-19(2,18-10-11-24-25-18)16-12-15(20(21,22)23)8-9-17(16)26-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyWXYHQVQMBNSWNC-UHFFFAOYSA-N
XLogP5.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole?
The IUPAC name of 5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole (CID 118418307) is 5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole is CC(C)(c1ccn[nH]1)c1cc(C(F)(F)F)ccc1OCc1ccccc1.
What is the InChIKey of 5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole?
The InChIKey is WXYHQVQMBNSWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O/c1-19(2,18-10-11-24-25-18)16-12-15(20(21,22)23)8-9-17(16)26-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole?
5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole has a molecular weight of 360.38 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]propan-2-yl]-1H-pyrazole is sourced from PubChem (CID 118418307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).