2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one

C10H11N3O — CID 112712475

IUPAC2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
SMILESCC(C)C(=O)c1cnn2cccnc12
InChIInChI=1S/C10H11N3O/c1-7(2)9(14)8-6-12-13-5-3-4-11-10(8)13/h3-7H,1-2H3
InChIKeyBGIJJVHVSSPAJV-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.57
Rot. Bonds2

About 2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one

2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one (PubChem CID 112712475) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
PubChem CID112712475
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
SMILESCC(C)C(=O)c1cnn2cccnc12
InChIInChI=1S/C10H11N3O/c1-7(2)9(14)8-6-12-13-5-3-4-11-10(8)13/h3-7H,1-2H3
InChIKeyBGIJJVHVSSPAJV-UHFFFAOYSA-N
XLogP1.57
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one (CID 112712475) is 2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one is CC(C)C(=O)c1cnn2cccnc12.
What is the InChIKey of 2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
The InChIKey is BGIJJVHVSSPAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(2)9(14)8-6-12-13-5-3-4-11-10(8)13/h3-7H,1-2H3.
What are the key properties of 2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one has a molecular weight of 189.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one is sourced from PubChem (CID 112712475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).