1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole

C12H10F4N2O — CID 91487701

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole
SMILESCOCc1ccnn1-c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H10F4N2O/c1-19-7-9-4-5-17-18(9)11-3-2-8(13)6-10(11)12(14,15)16/h2-6H,7H2,1H3
InChIKeyKMTASILYXODASM-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.18
Rot. Bonds3

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole

1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole (PubChem CID 91487701) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole
PubChem CID91487701
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole
SMILESCOCc1ccnn1-c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H10F4N2O/c1-19-7-9-4-5-17-18(9)11-3-2-8(13)6-10(11)12(14,15)16/h2-6H,7H2,1H3
InChIKeyKMTASILYXODASM-UHFFFAOYSA-N
XLogP3.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole (CID 91487701) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole is COCc1ccnn1-c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole?
The InChIKey is KMTASILYXODASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-19-7-9-4-5-17-18(9)11-3-2-8(13)6-10(11)12(14,15)16/h2-6H,7H2,1H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole?
1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole has a molecular weight of 274.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-(methoxymethyl)pyrazole is sourced from PubChem (CID 91487701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).