1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone

C13H16N4O — CID 170379383

IUPAC1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1cnn2ccc(N3CCCCC3)nc12
InChIInChI=1S/C13H16N4O/c1-10(18)11-9-14-17-8-5-12(15-13(11)17)16-6-3-2-4-7-16/h5,8-9H,2-4,6-7H2,1H3
InChIKeyAQQSVLIIWZOKNL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.92
Rot. Bonds2

About 1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone

1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone (PubChem CID 170379383) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
PubChem CID170379383
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1cnn2ccc(N3CCCCC3)nc12
InChIInChI=1S/C13H16N4O/c1-10(18)11-9-14-17-8-5-12(15-13(11)17)16-6-3-2-4-7-16/h5,8-9H,2-4,6-7H2,1H3
InChIKeyAQQSVLIIWZOKNL-UHFFFAOYSA-N
XLogP1.92
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
1-[5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 157339662
1-[5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 170379491
acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568
5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 134386283
N-(2,2-difluoro-2-phosphanylethyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134386392
3-propyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 134386294
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274061
5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 123319389
5-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175761276
ethyl 5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 122672896
3-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 134386222

Frequently Asked Questions

What is the IUPAC name of 1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone (CID 170379383) is 1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone is CC(=O)c1cnn2ccc(N3CCCCC3)nc12.
What is the InChIKey of 1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The InChIKey is AQQSVLIIWZOKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(18)11-9-14-17-8-5-12(15-13(11)17)16-6-3-2-4-7-16/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone has a molecular weight of 244.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 170379383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).