7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C13H19N3O — CID 136951923

IUPAC7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)Cc1cc(=O)[nH]c2cc(C(C)C)nn12
InChIInChI=1S/C13H19N3O/c1-8(2)5-10-6-13(17)14-12-7-11(9(3)4)15-16(10)12/h6-9H,5H2,1-4H3,(H,14,17)
InChIKeyPVQPFMOTGWSOLC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.34
Rot. Bonds3

About 7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 136951923) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID136951923
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)Cc1cc(=O)[nH]c2cc(C(C)C)nn12
InChIInChI=1S/C13H19N3O/c1-8(2)5-10-6-13(17)14-12-7-11(9(3)4)15-16(10)12/h6-9H,5H2,1-4H3,(H,14,17)
InChIKeyPVQPFMOTGWSOLC-UHFFFAOYSA-N
XLogP2.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 136951923) is 7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC(C)Cc1cc(=O)[nH]c2cc(C(C)C)nn12.
What is the InChIKey of 7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is PVQPFMOTGWSOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)5-10-6-13(17)14-12-7-11(9(3)4)15-16(10)12/h6-9H,5H2,1-4H3,(H,14,17).
What are the key properties of 7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 233.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136951923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).