2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H22N4O2 — CID 110216083

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCCN3C(=O)C3CC3)[nH]n2c(=O)c1C
InChIInChI=1S/C17H22N4O2/c1-10-11(2)18-15-9-13(19-21(15)16(10)22)14-5-3-4-8-20(14)17(23)12-6-7-12/h9,12,14,19H,3-8H2,1-2H3
InChIKeyVWNGUVKOAURCRX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.10
Rot. Bonds2

About 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216083) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110216083
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCCN3C(=O)C3CC3)[nH]n2c(=O)c1C
InChIInChI=1S/C17H22N4O2/c1-10-11(2)18-15-9-13(19-21(15)16(10)22)14-5-3-4-8-20(14)17(23)12-6-7-12/h9,12,14,19H,3-8H2,1-2H3
InChIKeyVWNGUVKOAURCRX-UHFFFAOYSA-N
XLogP2.10
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216083) is 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCCCN3C(=O)C3CC3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VWNGUVKOAURCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10-11(2)18-15-9-13(19-21(15)16(10)22)14-5-3-4-8-20(14)17(23)12-6-7-12/h9,12,14,19H,3-8H2,1-2H3.
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 314.39 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).