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

C13H19N3O — CID 104621412

IUPAC2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1
InChIInChI=1S/C13H19N3O/c1-8(2)9-6-12(17)16-11(14-9)7-10(15-16)13(3,4)5/h6-8,15H,1-5H3
InChIKeyFIKHCPWNMPIPII-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.44
Rot. Bonds1

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

2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 104621412) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID104621412
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1
InChIInChI=1S/C13H19N3O/c1-8(2)9-6-12(17)16-11(14-9)7-10(15-16)13(3,4)5/h6-8,15H,1-5H3
InChIKeyFIKHCPWNMPIPII-UHFFFAOYSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 104621412) is 2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FIKHCPWNMPIPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)9-6-12(17)16-11(14-9)7-10(15-16)13(3,4)5/h6-8,15H,1-5H3.
What are the key properties of 2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 233.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 104621412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).