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

C15H20N2O — CID 20673360

IUPAC3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one
SMILESCC(C)CC(=O)c1c(C(C)C)nn2ccccc12
InChIInChI=1S/C15H20N2O/c1-10(2)9-13(18)14-12-7-5-6-8-17(12)16-15(14)11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyKCWHHNFJVSJDFK-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.69
Rot. Bonds4

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

3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one (PubChem CID 20673360) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one
PubChem CID20673360
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one
SMILESCC(C)CC(=O)c1c(C(C)C)nn2ccccc12
InChIInChI=1S/C15H20N2O/c1-10(2)9-13(18)14-12-7-5-6-8-17(12)16-15(14)11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyKCWHHNFJVSJDFK-UHFFFAOYSA-N
XLogP3.69
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one (CID 20673360) is 3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one is CC(C)CC(=O)c1c(C(C)C)nn2ccccc12.
What is the InChIKey of 3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one?
The InChIKey is KCWHHNFJVSJDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)9-13(18)14-12-7-5-6-8-17(12)16-15(14)11(3)4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one?
3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one has a molecular weight of 244.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)butan-1-one is sourced from PubChem (CID 20673360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).