5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole

C11H9F3N2O — CID 22731897

IUPAC5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESCOc1cc(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C11H9F3N2O/c1-17-10-7-9(11(12,13)14)15-16(10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyHTAXCDSTXSCPKJ-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.90
Rot. Bonds2

About 5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole

5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 22731897) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID22731897
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESCOc1cc(C(F)(F)F)nn1-c1ccccc1
InChIInChI=1S/C11H9F3N2O/c1-17-10-7-9(11(12,13)14)15-16(10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyHTAXCDSTXSCPKJ-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 5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole (CID 22731897) is 5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole is COc1cc(C(F)(F)F)nn1-c1ccccc1.
What is the InChIKey of 5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is HTAXCDSTXSCPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-17-10-7-9(11(12,13)14)15-16(10)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole?
5-methoxy-1-phenyl-3-(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 5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 22731897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).