[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone

C13H13F3N4O2 — CID 2978923

IUPAC[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N3CCOCC3)cc2n1
InChIInChI=1S/C13H13F3N4O2/c1-8-6-10(13(14,15)16)20-11(17-8)7-9(18-20)12(21)19-2-4-22-5-3-19/h6-7H,2-5H2,1H3
InChIKeyVZIOLWRDNYIULP-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.53
Rot. Bonds1

About [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone

[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 2978923) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
PubChem CID2978923
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC Name[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N3CCOCC3)cc2n1
InChIInChI=1S/C13H13F3N4O2/c1-8-6-10(13(14,15)16)20-11(17-8)7-9(18-20)12(21)19-2-4-22-5-3-19/h6-7H,2-5H2,1H3
InChIKeyVZIOLWRDNYIULP-UHFFFAOYSA-N
XLogP1.53
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone (CID 2978923) is [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone is Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCOCC3)cc2n1.
What is the InChIKey of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VZIOLWRDNYIULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-8-6-10(13(14,15)16)20-11(17-8)7-9(18-20)12(21)19-2-4-22-5-3-19/h6-7H,2-5H2,1H3.
What are the key properties of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone?
[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 314.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2978923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).