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

C10H13F3N4O2 — CID 138655194

IUPACmethyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(n2nc(C(F)(F)F)cc2N)CN1
InChIInChI=1S/C10H13F3N4O2/c1-19-9(18)6-2-5(4-15-6)17-8(14)3-7(16-17)10(11,12)13/h3,5-6,15H,2,4,14H2,1H3
InChIKeyIYISYFROGYYIJE-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.56
Rot. Bonds2

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

methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate (PubChem CID 138655194) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate
PubChem CID138655194
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Namemethyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(n2nc(C(F)(F)F)cc2N)CN1
InChIInChI=1S/C10H13F3N4O2/c1-19-9(18)6-2-5(4-15-6)17-8(14)3-7(16-17)10(11,12)13/h3,5-6,15H,2,4,14H2,1H3
InChIKeyIYISYFROGYYIJE-UHFFFAOYSA-N
XLogP0.56
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate (CID 138655194) is methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate is COC(=O)C1CC(n2nc(C(F)(F)F)cc2N)CN1.
What is the InChIKey of methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate?
The InChIKey is IYISYFROGYYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-19-9(18)6-2-5(4-15-6)17-8(14)3-7(16-17)10(11,12)13/h3,5-6,15H,2,4,14H2,1H3.
What are the key properties of methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate?
methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate has a molecular weight of 278.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-amino-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 138655194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).