1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one

C14H17BrN2O — CID 58493469

IUPAC1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1c(C(C)C)nn2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2O/c1-8(2)13-12(14(18)9(3)4)11-7-10(15)5-6-17(11)16-13/h5-9H,1-4H3
InChIKeyVRYJXFFHXBJWPQ-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.06
Rot. Bonds3

About 1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one

1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one (PubChem CID 58493469) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one
PubChem CID58493469
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1c(C(C)C)nn2ccc(Br)cc12
InChIInChI=1S/C14H17BrN2O/c1-8(2)13-12(14(18)9(3)4)11-7-10(15)5-6-17(11)16-13/h5-9H,1-4H3
InChIKeyVRYJXFFHXBJWPQ-UHFFFAOYSA-N
XLogP4.06
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one (CID 58493469) is 1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one is CC(C)C(=O)c1c(C(C)C)nn2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one?
The InChIKey is VRYJXFFHXBJWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-8(2)13-12(14(18)9(3)4)11-7-10(15)5-6-17(11)16-13/h5-9H,1-4H3.
What are the key properties of 1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one?
1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one has a molecular weight of 309.21 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 58493469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).