5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H19N3O — CID 113433914

IUPAC5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc2nc(C(C)(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C13H19N3O/c1-5-6-9-7-11-14-10(13(2,3)4)8-12(17)16(11)15-9/h7-8,15H,5-6H2,1-4H3
InChIKeyPAFYLERYCSENEX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds2

About 5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 113433914) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID113433914
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc2nc(C(C)(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C13H19N3O/c1-5-6-9-7-11-14-10(13(2,3)4)8-12(17)16(11)15-9/h7-8,15H,5-6H2,1-4H3
InChIKeyPAFYLERYCSENEX-UHFFFAOYSA-N
XLogP2.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 113433914) is 5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc2nc(C(C)(C)C)cc(=O)n2[nH]1.
What is the InChIKey of 5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PAFYLERYCSENEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-6-9-7-11-14-10(13(2,3)4)8-12(17)16(11)15-9/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 233.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 113433914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).