2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one

C13H17N3O — CID 141295251

IUPAC2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
SMILESCC(C)C(=O)c1c(C(C)C)nn2cccnc12
InChIInChI=1S/C13H17N3O/c1-8(2)11-10(12(17)9(3)4)13-14-6-5-7-16(13)15-11/h5-9H,1-4H3
InChIKeyALUQHRYOUKVJJB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.69
Rot. Bonds3

About 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one

2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one (PubChem CID 141295251) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
PubChem CID141295251
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
SMILESCC(C)C(=O)c1c(C(C)C)nn2cccnc12
InChIInChI=1S/C13H17N3O/c1-8(2)11-10(12(17)9(3)4)13-14-6-5-7-16(13)15-11/h5-9H,1-4H3
InChIKeyALUQHRYOUKVJJB-UHFFFAOYSA-N
XLogP2.69
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one (CID 141295251) is 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one is CC(C)C(=O)c1c(C(C)C)nn2cccnc12.
What is the InChIKey of 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?
The InChIKey is ALUQHRYOUKVJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)11-10(12(17)9(3)4)13-14-6-5-7-16(13)15-11/h5-9H,1-4H3.
What are the key properties of 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?
2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one is sourced from PubChem (CID 141295251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).