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

C11H15N3O — CID 2818881

IUPAC2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C(C)(C)C)cc2n1
InChIInChI=1S/C11H15N3O/c1-7-5-10(15)14-9(12-7)6-8(13-14)11(2,3)4/h5-6,13H,1-4H3
InChIKeyVNUBNPAOPRVRGT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.63
Rot. Bonds

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

2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2818881) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2818881
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C(C)(C)C)cc2n1
InChIInChI=1S/C11H15N3O/c1-7-5-10(15)14-9(12-7)6-8(13-14)11(2,3)4/h5-6,13H,1-4H3
InChIKeyVNUBNPAOPRVRGT-UHFFFAOYSA-N
XLogP1.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.63
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-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2818881) is 2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VNUBNPAOPRVRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-5-10(15)14-9(12-7)6-8(13-14)11(2,3)4/h5-6,13H,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 205.26 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2818881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).