4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one

C14H15F3N4O2 — CID 58207349

IUPAC4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one
SMILESO=C(Cc1cc(N2CCOCC2)n2nccc2n1)CC(F)(F)F
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)9-11(22)7-10-8-13(20-3-5-23-6-4-20)21-12(19-10)1-2-18-21/h1-2,8H,3-7,9H2
InChIKeyMGDRSDOSLZHWFI-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.63
Rot. Bonds4

About 4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one

4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one (PubChem CID 58207349) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one
PubChem CID58207349
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one
SMILESO=C(Cc1cc(N2CCOCC2)n2nccc2n1)CC(F)(F)F
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)9-11(22)7-10-8-13(20-3-5-23-6-4-20)21-12(19-10)1-2-18-21/h1-2,8H,3-7,9H2
InChIKeyMGDRSDOSLZHWFI-UHFFFAOYSA-N
XLogP1.63
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyclopropyl-7-(difluoromethyl)-3-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2165688
1-(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)propan-2-one
CID 85843909
4-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 134852626
1-(7-Morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 58207002
[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidin-3-YL](morpholino)methanone
CID 4767916
5-Isopropyl-7-[2-(trifluoromethyl)-4-morpholinyl]pyrazolo[1,5-a]pyrimidine
CID 56881713
(2S)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine
CID 95707094
(2R)-4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(trifluoromethyl)morpholine
CID 95707095
1,1,1-Trifluoro-3-{pyrazolo[1,5-a]pyrimidin-2-yl}propan-2-one
CID 165883844
5-(Dimethylamino)-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pentan-2-one
CID 58206942
1-Cyclopropyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58207026
Tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate
CID 58207059

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one?
The IUPAC name of 4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one (CID 58207349) is 4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one?
The canonical SMILES for 4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one is O=C(Cc1cc(N2CCOCC2)n2nccc2n1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one?
The InChIKey is MGDRSDOSLZHWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c15-14(16,17)9-11(22)7-10-8-13(20-3-5-23-6-4-20)21-12(19-10)1-2-18-21/h1-2,8H,3-7,9H2.
What are the key properties of 4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one?
4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one has a molecular weight of 328.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one is sourced from PubChem (CID 58207349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).