1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole

C12H11F3N2O — CID 54220702

IUPAC1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole
SMILESCOc1ccc(-n2ccc(CC(F)(F)F)n2)cc1
InChIInChI=1S/C12H11F3N2O/c1-18-11-4-2-10(3-5-11)17-7-6-9(16-17)8-12(13,14)15/h2-7H,8H2,1H3
InChIKeyQCJRSANRCAVUPG-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.99
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole

1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 54220702) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole
PubChem CID54220702
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole
SMILESCOc1ccc(-n2ccc(CC(F)(F)F)n2)cc1
InChIInChI=1S/C12H11F3N2O/c1-18-11-4-2-10(3-5-11)17-7-6-9(16-17)8-12(13,14)15/h2-7H,8H2,1H3
InChIKeyQCJRSANRCAVUPG-UHFFFAOYSA-N
XLogP2.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole (CID 54220702) is 1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole is COc1ccc(-n2ccc(CC(F)(F)F)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is QCJRSANRCAVUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-18-11-4-2-10(3-5-11)17-7-6-9(16-17)8-12(13,14)15/h2-7H,8H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole?
1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 256.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 54220702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).