5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole

C13H13F3N2O — CID 70791501

IUPAC5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1-c1ccccc1OC
InChIInChI=1S/C13H13F3N2O/c1-3-9-8-12(13(14,15)16)17-18(9)10-6-4-5-7-11(10)19-2/h4-8H,3H2,1-2H3
InChIKeyWFDSELVOQYDHMW-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.46
Rot. Bonds3

About 5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole

5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 70791501) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID70791501
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1-c1ccccc1OC
InChIInChI=1S/C13H13F3N2O/c1-3-9-8-12(13(14,15)16)17-18(9)10-6-4-5-7-11(10)19-2/h4-8H,3H2,1-2H3
InChIKeyWFDSELVOQYDHMW-UHFFFAOYSA-N
XLogP3.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole (CID 70791501) is 5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole is CCc1cc(C(F)(F)F)nn1-c1ccccc1OC.
What is the InChIKey of 5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is WFDSELVOQYDHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-3-9-8-12(13(14,15)16)17-18(9)10-6-4-5-7-11(10)19-2/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 270.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70791501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).