5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C12H16N4O — CID 73439764

IUPAC5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCN3)[nH]n2c(=O)c1C
InChIInChI=1S/C12H16N4O/c1-7-8(2)14-11-6-10(9-4-3-5-13-9)15-16(11)12(7)17/h6,9,13,15H,3-5H2,1-2H3
InChIKeyUXTXXILOJCVHFJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.06
Rot. Bonds1

About 5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 73439764) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID73439764
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCN3)[nH]n2c(=O)c1C
InChIInChI=1S/C12H16N4O/c1-7-8(2)14-11-6-10(9-4-3-5-13-9)15-16(11)12(7)17/h6,9,13,15H,3-5H2,1-2H3
InChIKeyUXTXXILOJCVHFJ-UHFFFAOYSA-N
XLogP1.06
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.06
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-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 73439764) is 5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCCN3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UXTXXILOJCVHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-8(2)14-11-6-10(9-4-3-5-13-9)15-16(11)12(7)17/h6,9,13,15H,3-5H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 232.29 g/mol, XLogP of 1.06, 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-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 73439764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).