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

C21H21F3N4O2 — CID 58207002

IUPAC1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)Cc1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C21H21F3N4O2/c22-21(23,24)16-4-1-15(2-5-16)3-6-18(29)13-17-14-20(27-9-11-30-12-10-27)28-19(26-17)7-8-25-28/h1-2,4-5,7-8,14H,3,6,9-13H2
InChIKeyXORIPEZULJPORR-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.33
Rot. Bonds6

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

1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one (PubChem CID 58207002) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one.

Molecular Properties

Compound Name1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one
PubChem CID58207002
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)Cc1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C21H21F3N4O2/c22-21(23,24)16-4-1-15(2-5-16)3-6-18(29)13-17-14-20(27-9-11-30-12-10-27)28-19(26-17)7-8-25-28/h1-2,4-5,7-8,14H,3,6,9-13H2
InChIKeyXORIPEZULJPORR-UHFFFAOYSA-N
XLogP3.33
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 66964555
4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
5-(4-Fluorophenyl)-6-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1487690
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
4-(2,5-Dimethyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4904826
4-(5-Methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4906222
4-(5-Methyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4909114
5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665812
7-(difluoromethyl)-N-morpholin-4-yl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995380
3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1004815
N-(3-(2-morpholinopyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 24768568
ethyl (2R)-2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanoate
CID 66964295

Frequently Asked Questions

What is the IUPAC name of 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one?
The IUPAC name of 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one (CID 58207002) is 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one.
What is the SMILES notation for 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one?
The canonical SMILES for 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one is O=C(CCc1ccc(C(F)(F)F)cc1)Cc1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one?
The InChIKey is XORIPEZULJPORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c22-21(23,24)16-4-1-15(2-5-16)3-6-18(29)13-17-14-20(27-9-11-30-12-10-27)28-19(26-17)7-8-25-28/h1-2,4-5,7-8,14H,3,6,9-13H2.
What are the key properties of 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one?
1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one has a molecular weight of 418.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one is sourced from PubChem (CID 58207002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).