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

C11H13N3O — CID 175936626

IUPAC1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
SMILESCC(=O)c1ccn2ncc(C(C)C)c2n1
InChIInChI=1S/C11H13N3O/c1-7(2)9-6-12-14-5-4-10(8(3)15)13-11(9)14/h4-7H,1-3H3
InChIKeyQTNZIEZHWWPYCY-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.06
Rot. Bonds2

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

1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone (PubChem CID 175936626) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
PubChem CID175936626
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
SMILESCC(=O)c1ccn2ncc(C(C)C)c2n1
InChIInChI=1S/C11H13N3O/c1-7(2)9-6-12-14-5-4-10(8(3)15)13-11(9)14/h4-7H,1-3H3
InChIKeyQTNZIEZHWWPYCY-UHFFFAOYSA-N
XLogP2.06
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The IUPAC name of 1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone (CID 175936626) is 1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone is CC(=O)c1ccn2ncc(C(C)C)c2n1.
What is the InChIKey of 1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The InChIKey is QTNZIEZHWWPYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(2)9-6-12-14-5-4-10(8(3)15)13-11(9)14/h4-7H,1-3H3.
What are the key properties of 1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone has a molecular weight of 203.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone is sourced from PubChem (CID 175936626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).