3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene

C21H26N4O2 — CID 145075530

IUPAC3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene
SMILESCC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.CCc1ccccc1
InChIInChI=1S/C13H16N4O2.C8H10/c1-8(18)10-7-15-17-11(6-12(19)16-13(10)17)9-2-4-14-5-3-9;1-2-8-6-4-3-5-7-8/h6-7,9,14H,2-5H2,1H3,(H,16,19);3-7H,2H2,1H3
InChIKeyOYWFUCIXMCTNTJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.94
Rot. Bonds3

About 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene

3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene (PubChem CID 145075530) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene.

Molecular Properties

Compound Name3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene
PubChem CID145075530
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene
SMILESCC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.CCc1ccccc1
InChIInChI=1S/C13H16N4O2.C8H10/c1-8(18)10-7-15-17-11(6-12(19)16-13(10)17)9-2-4-14-5-3-9;1-2-8-6-4-3-5-7-8/h6-7,9,14H,2-5H2,1H3,(H,16,19);3-7H,2H2,1H3
InChIKeyOYWFUCIXMCTNTJ-UHFFFAOYSA-N
XLogP2.94
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene with MolForge

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Related Compounds

ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 137251710
3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018670
2,2,2-trifluoroethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 137251800
N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 137251700
3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025847
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018324
ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137018322
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018323
5-oxo-N-(4-oxo-1,4-oxathian-4-ylidene)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 137251852
5-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 137251708
3-(3-phenyl-1,2-oxazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251873
4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 137026059

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene?
The IUPAC name of 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene (CID 145075530) is 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene.
What is the SMILES notation for 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene?
The canonical SMILES for 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene is CC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.CCc1ccccc1.
What is the InChIKey of 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene?
The InChIKey is OYWFUCIXMCTNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.C8H10/c1-8(18)10-7-15-17-11(6-12(19)16-13(10)17)9-2-4-14-5-3-9;1-2-8-6-4-3-5-7-8/h6-7,9,14H,2-5H2,1H3,(H,16,19);3-7H,2H2,1H3.
What are the key properties of 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene?
3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene has a molecular weight of 366.47 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene is sourced from PubChem (CID 145075530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).