1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

C12H13N3O — CID 2819451

IUPAC1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2cc(C3CC3)nn2c1C
InChIInChI=1S/C12H13N3O/c1-7-10(8(2)16)6-13-12-5-11(9-3-4-9)14-15(7)12/h5-6,9H,3-4H2,1-2H3
InChIKeyGIGLAZDYILQAPY-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.12
Rot. Bonds2

About 1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 2819451) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID2819451
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2cc(C3CC3)nn2c1C
InChIInChI=1S/C12H13N3O/c1-7-10(8(2)16)6-13-12-5-11(9-3-4-9)14-15(7)12/h5-6,9H,3-4H2,1-2H3
InChIKeyGIGLAZDYILQAPY-UHFFFAOYSA-N
XLogP2.12
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 2819451) is 1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is CC(=O)c1cnc2cc(C3CC3)nn2c1C.
What is the InChIKey of 1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is GIGLAZDYILQAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-10(8(2)16)6-13-12-5-11(9-3-4-9)14-15(7)12/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 215.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 2819451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).