1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

C16H19F3N4O2 — CID 110222449

IUPAC1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)COC)cc2n1
InChIInChI=1S/C16H19F3N4O2/c1-3-10-7-13(16(17,18)19)23-14(20-10)8-11(21-23)12-5-4-6-22(12)15(24)9-25-2/h7-8,12H,3-6,9H2,1-2H3
InChIKeyVSZVTHONUMHMTP-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone

1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 110222449) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
PubChem CID110222449
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)COC)cc2n1
InChIInChI=1S/C16H19F3N4O2/c1-3-10-7-13(16(17,18)19)23-14(20-10)8-11(21-23)12-5-4-6-22(12)15(24)9-25-2/h7-8,12H,3-6,9H2,1-2H3
InChIKeyVSZVTHONUMHMTP-UHFFFAOYSA-N
XLogP2.62
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone (CID 110222449) is 1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone is CCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)COC)cc2n1.
What is the InChIKey of 1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is VSZVTHONUMHMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-3-10-7-13(16(17,18)19)23-14(20-10)8-11(21-23)12-5-4-6-22(12)15(24)9-25-2/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone?
1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 356.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 110222449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).