1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one

C12H15F3N4O — CID 166178566

IUPAC1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one
SMILESCN1CCC(N2CCc3[nH]nc(C(F)(F)F)c3C2)C1=O
InChIInChI=1S/C12H15F3N4O/c1-18-4-3-9(11(18)20)19-5-2-8-7(6-19)10(17-16-8)12(13,14)15/h9H,2-6H2,1H3,(H,16,17)
InChIKeySLYBEPADDZEJRR-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.02
Rot. Bonds1

About 1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one

1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one (PubChem CID 166178566) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one
PubChem CID166178566
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one
SMILESCN1CCC(N2CCc3[nH]nc(C(F)(F)F)c3C2)C1=O
InChIInChI=1S/C12H15F3N4O/c1-18-4-3-9(11(18)20)19-5-2-8-7(6-19)10(17-16-8)12(13,14)15/h9H,2-6H2,1H3,(H,16,17)
InChIKeySLYBEPADDZEJRR-UHFFFAOYSA-N
XLogP1.02
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one (CID 166178566) is 1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one is CN1CCC(N2CCc3[nH]nc(C(F)(F)F)c3C2)C1=O.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one?
The InChIKey is SLYBEPADDZEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-18-4-3-9(11(18)20)19-5-2-8-7(6-19)10(17-16-8)12(13,14)15/h9H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one?
1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one has a molecular weight of 288.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 166178566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).