1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole

C13H12F4N2O — CID 177142069

IUPAC1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCOCc1ccc(-n2nc(C(F)(F)F)cc2C)cc1F
InChIInChI=1S/C13H12F4N2O/c1-8-5-12(13(15,16)17)18-19(8)10-4-3-9(7-20-2)11(14)6-10/h3-6H,7H2,1-2H3
InChIKeyBTOLPKOZWSTILD-UHFFFAOYSA-N
MW288.24 g/mol
LogP3.49
Rot. Bonds3

About 1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole

1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 177142069) has the molecular formula C13H12F4N2O and a molecular weight of 288.24 g/mol. Its IUPAC name is 1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole
PubChem CID177142069
Molecular FormulaC13H12F4N2O
Molecular Weight288.24 g/mol
Exact Mass288.09
IUPAC Name1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCOCc1ccc(-n2nc(C(F)(F)F)cc2C)cc1F
InChIInChI=1S/C13H12F4N2O/c1-8-5-12(13(15,16)17)18-19(8)10-4-3-9(7-20-2)11(14)6-10/h3-6H,7H2,1-2H3
InChIKeyBTOLPKOZWSTILD-UHFFFAOYSA-N
XLogP3.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole (CID 177142069) is 1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole is COCc1ccc(-n2nc(C(F)(F)F)cc2C)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is BTOLPKOZWSTILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O/c1-8-5-12(13(15,16)17)18-19(8)10-4-3-9(7-20-2)11(14)6-10/h3-6H,7H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole?
1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 288.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(methoxymethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 177142069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).