1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole

C12H11F3N2O — CID 18177296

IUPAC1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C12H11F3N2O/c1-8-7-11(12(13,14)15)16-17(8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3
InChIKeyRTRGFTZOIPZARW-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.21
Rot. Bonds2

About 1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole

1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 18177296) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole
PubChem CID18177296
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C12H11F3N2O/c1-8-7-11(12(13,14)15)16-17(8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3
InChIKeyRTRGFTZOIPZARW-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-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole (CID 18177296) is 1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole is COc1ccc(-n2nc(C(F)(F)F)cc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is RTRGFTZOIPZARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8-7-11(12(13,14)15)16-17(8)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole?
1-(4-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-(4-methoxyphenyl)-5-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 18177296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).