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

C11H9F3N2O — CID 21105047

IUPAC1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O/c1-17-9-4-2-8(3-5-9)16-10(6-7-15-16)11(12,13)14/h2-7H,1H3
InChIKeyZVUKJSQLKRYUIU-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.90
Rot. Bonds2

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

1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 21105047) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole
PubChem CID21105047
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C11H9F3N2O/c1-17-9-4-2-8(3-5-9)16-10(6-7-15-16)11(12,13)14/h2-7H,1H3
InChIKeyZVUKJSQLKRYUIU-UHFFFAOYSA-N
XLogP2.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.90
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-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole (CID 21105047) is 1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole is COc1ccc(-n2nccc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is ZVUKJSQLKRYUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-17-9-4-2-8(3-5-9)16-10(6-7-15-16)11(12,13)14/h2-7H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole?
1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 242.20 g/mol, XLogP of 2.90, 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-(trifluoromethyl)pyrazole is sourced from PubChem (CID 21105047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).