1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone

C17H22N4O2 — CID 58207083

IUPAC1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
SMILESO=C(Cc1cc(N2CCOCC2)n2nccc2n1)C1CCCC1
InChIInChI=1S/C17H22N4O2/c22-15(13-3-1-2-4-13)11-14-12-17(20-7-9-23-10-8-20)21-16(19-14)5-6-18-21/h5-6,12-13H,1-4,7-11H2
InChIKeyMFBHOKIIBUYRPT-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.87
Rot. Bonds4

About 1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone

1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone (PubChem CID 58207083) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
PubChem CID58207083
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
SMILESO=C(Cc1cc(N2CCOCC2)n2nccc2n1)C1CCCC1
InChIInChI=1S/C17H22N4O2/c22-15(13-3-1-2-4-13)11-14-12-17(20-7-9-23-10-8-20)21-16(19-14)5-6-18-21/h5-6,12-13H,1-4,7-11H2
InChIKeyMFBHOKIIBUYRPT-UHFFFAOYSA-N
XLogP1.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 56814687
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 56819252
1-(2,4-Difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58206928
1-(7-Morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 58207002
1-(4-Fluorophenyl)-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)propan-2-one
CID 58207232
4,4,4-Trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one
CID 58207349
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 160224347
2-[3-(Difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 161283404
2-[5-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 161375871
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone (CID 58207083) is 1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone is O=C(Cc1cc(N2CCOCC2)n2nccc2n1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The InChIKey is MFBHOKIIBUYRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-15(13-3-1-2-4-13)11-14-12-17(20-7-9-23-10-8-20)21-16(19-14)5-6-18-21/h5-6,12-13H,1-4,7-11H2.
What are the key properties of 1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone is sourced from PubChem (CID 58207083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).