5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H20N4O — CID 58029727

IUPAC5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CC(C)CCN3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H20N4O/c1-8-4-5-15-11(6-8)12-7-13-16-10(3)9(2)14(19)18(13)17-12/h7-8,11,15,17H,4-6H2,1-3H3
InChIKeySRXRLHUWVCDEQG-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.70
Rot. Bonds1

About 5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58029727) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58029727
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CC(C)CCN3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H20N4O/c1-8-4-5-15-11(6-8)12-7-13-16-10(3)9(2)14(19)18(13)17-12/h7-8,11,15,17H,4-6H2,1-3H3
InChIKeySRXRLHUWVCDEQG-UHFFFAOYSA-N
XLogP1.70
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 58029727) is 5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CC(C)CCN3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SRXRLHUWVCDEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-8-4-5-15-11(6-8)12-7-13-16-10(3)9(2)14(19)18(13)17-12/h7-8,11,15,17H,4-6H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 260.34 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(4-methylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58029727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).