[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C14H15F3N4O2 — CID 146087484

IUPAC[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCC1(C)CN(C(=O)c2cnn3cccnc23)CC(C(F)(F)F)O1
InChIInChI=1S/C14H15F3N4O2/c1-13(2)8-20(7-10(23-13)14(15,16)17)12(22)9-6-19-21-5-3-4-18-11(9)21/h3-6,10H,7-8H2,1-2H3
InChIKeyLLGFNABMHWSKMV-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.91
Rot. Bonds1

About [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 146087484) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID146087484
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCC1(C)CN(C(=O)c2cnn3cccnc23)CC(C(F)(F)F)O1
InChIInChI=1S/C14H15F3N4O2/c1-13(2)8-20(7-10(23-13)14(15,16)17)12(22)9-6-19-21-5-3-4-18-11(9)21/h3-6,10H,7-8H2,1-2H3
InChIKeyLLGFNABMHWSKMV-UHFFFAOYSA-N
XLogP1.91
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 146087484) is [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is CC1(C)CN(C(=O)c2cnn3cccnc23)CC(C(F)(F)F)O1.
What is the InChIKey of [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is LLGFNABMHWSKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-13(2)8-20(7-10(23-13)14(15,16)17)12(22)9-6-19-21-5-3-4-18-11(9)21/h3-6,10H,7-8H2,1-2H3.
What are the key properties of [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 328.29 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 146087484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).