3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine

C11H13F3N2O — CID 127054046

IUPAC3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine
SMILESCOc1cccc(C2CC(C(F)(F)F)NN2)c1
InChIInChI=1S/C11H13F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-5,9-10,15-16H,6H2,1H3
InChIKeySGBMOXGUCPJSPV-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.17
Rot. Bonds2

About 3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine

3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine (PubChem CID 127054046) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine
PubChem CID127054046
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine
SMILESCOc1cccc(C2CC(C(F)(F)F)NN2)c1
InChIInChI=1S/C11H13F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-5,9-10,15-16H,6H2,1H3
InChIKeySGBMOXGUCPJSPV-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine?
The IUPAC name of 3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine (CID 127054046) is 3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine?
The canonical SMILES for 3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine is COc1cccc(C2CC(C(F)(F)F)NN2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine?
The InChIKey is SGBMOXGUCPJSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-5,9-10,15-16H,6H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine?
3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine has a molecular weight of 246.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-(trifluoromethyl)pyrazolidine is sourced from PubChem (CID 127054046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).