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

C17H13F3N2O — CID 118418452

IUPAC1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(OCc2ccccc2)c(-n2cccn2)c1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-7-8-16(15(11-14)22-10-4-9-21-22)23-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyFXEOFVLRFLIAGC-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.47
Rot. Bonds4

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

1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole (PubChem CID 118418452) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole
PubChem CID118418452
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1ccc(OCc2ccccc2)c(-n2cccn2)c1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)14-7-8-16(15(11-14)22-10-4-9-21-22)23-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyFXEOFVLRFLIAGC-UHFFFAOYSA-N
XLogP4.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole (CID 118418452) is 1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1ccc(OCc2ccccc2)c(-n2cccn2)c1.
What is the InChIKey of 1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is FXEOFVLRFLIAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)14-7-8-16(15(11-14)22-10-4-9-21-22)23-12-13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole?
1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 318.30 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 118418452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).