methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate

C11H14F3N3O2 — CID 122633583

IUPACmethyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(n2nc(C(F)(F)F)cc2C)CN1
InChIInChI=1S/C11H14F3N3O2/c1-6-3-9(11(12,13)14)16-17(6)7-4-8(15-5-7)10(18)19-2/h3,7-8,15H,4-5H2,1-2H3
InChIKeyQMWLZAPUNVJJOI-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.29
Rot. Bonds2

About methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate

methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate (PubChem CID 122633583) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate
PubChem CID122633583
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Namemethyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(n2nc(C(F)(F)F)cc2C)CN1
InChIInChI=1S/C11H14F3N3O2/c1-6-3-9(11(12,13)14)16-17(6)7-4-8(15-5-7)10(18)19-2/h3,7-8,15H,4-5H2,1-2H3
InChIKeyQMWLZAPUNVJJOI-UHFFFAOYSA-N
XLogP1.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate (CID 122633583) is methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate is COC(=O)C1CC(n2nc(C(F)(F)F)cc2C)CN1.
What is the InChIKey of methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate?
The InChIKey is QMWLZAPUNVJJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-6-3-9(11(12,13)14)16-17(6)7-4-8(15-5-7)10(18)19-2/h3,7-8,15H,4-5H2,1-2H3.
What are the key properties of methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate?
methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate has a molecular weight of 277.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 122633583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).