1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole

C11H9F3N2O — CID 53441473

IUPAC1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1Oc1ccccc1
InChIInChI=1S/C11H9F3N2O/c1-16-10(7-9(15-16)11(12,13)14)17-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyZFDLBVQQPQHDSD-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.23
Rot. Bonds2

About 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole

1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole (PubChem CID 53441473) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole
PubChem CID53441473
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1Oc1ccccc1
InChIInChI=1S/C11H9F3N2O/c1-16-10(7-9(15-16)11(12,13)14)17-8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyZFDLBVQQPQHDSD-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole (CID 53441473) is 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1Oc1ccccc1.
What is the InChIKey of 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole?
The InChIKey is ZFDLBVQQPQHDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-16-10(7-9(15-16)11(12,13)14)17-8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole?
1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole has a molecular weight of 242.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 53441473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).