1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

C13H16N4O — CID 170948251

IUPAC1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2cc(C3CCNCC3)nn2c1
InChIInChI=1S/C13H16N4O/c1-9(18)11-7-15-13-6-12(16-17(13)8-11)10-2-4-14-5-3-10/h6-8,10,14H,2-5H2,1H3
InChIKeyIUBNGPGPLOEOMF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.40
Rot. Bonds2

About 1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 170948251) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID170948251
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2cc(C3CCNCC3)nn2c1
InChIInChI=1S/C13H16N4O/c1-9(18)11-7-15-13-6-12(16-17(13)8-11)10-2-4-14-5-3-10/h6-8,10,14H,2-5H2,1H3
InChIKeyIUBNGPGPLOEOMF-UHFFFAOYSA-N
XLogP1.40
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 639252
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 83877102
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
8-Piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53324629
1-{[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-4-piperidinecarboxamide
CID 969761
5,7-Dimethylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 17593557
N,5,7-trimethylpyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 19440818
N-(sec-butyl)-9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 3244790
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Amino-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 53319425

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 170948251) is 1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is CC(=O)c1cnc2cc(C3CCNCC3)nn2c1.
What is the InChIKey of 1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is IUBNGPGPLOEOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(18)11-7-15-13-6-12(16-17(13)8-11)10-2-4-14-5-3-10/h6-8,10,14H,2-5H2,1H3.
What are the key properties of 1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 244.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 170948251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).