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

C12H11F3N2O — CID 82088930

IUPAC1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccccc1-n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C12H11F3N2O/c1-8-7-11(12(13,14)15)16-17(8)9-5-3-4-6-10(9)18-2/h3-7H,1-2H3
InChIKeyUJCAVMHKIOQENR-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.21
Rot. Bonds2

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

1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 82088930) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole
PubChem CID82088930
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccccc1-n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C12H11F3N2O/c1-8-7-11(12(13,14)15)16-17(8)9-5-3-4-6-10(9)18-2/h3-7H,1-2H3
InChIKeyUJCAVMHKIOQENR-UHFFFAOYSA-N
XLogP3.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole (CID 82088930) is 1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole is COc1ccccc1-n1nc(C(F)(F)F)cc1C.
What is the InChIKey of 1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is UJCAVMHKIOQENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8-7-11(12(13,14)15)16-17(8)9-5-3-4-6-10(9)18-2/h3-7H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 256.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 82088930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).