1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone

C16H14N2O — CID 20814936

IUPAC1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)nn2c(C)cccc12
InChIInChI=1S/C16H14N2O/c1-11-7-6-10-14-15(12(2)19)16(17-18(11)14)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyQENLBVOJJSBPMC-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.51
Rot. Bonds2

About 1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone

1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone (PubChem CID 20814936) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone
PubChem CID20814936
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)nn2c(C)cccc12
InChIInChI=1S/C16H14N2O/c1-11-7-6-10-14-15(12(2)19)16(17-18(11)14)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyQENLBVOJJSBPMC-UHFFFAOYSA-N
XLogP3.51
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone (CID 20814936) is 1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone is CC(=O)c1c(-c2ccccc2)nn2c(C)cccc12.
What is the InChIKey of 1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone?
The InChIKey is QENLBVOJJSBPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-6-10-14-15(12(2)19)16(17-18(11)14)13-8-4-3-5-9-13/h3-10H,1-2H3.
What are the key properties of 1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone?
1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone has a molecular weight of 250.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 20814936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).