3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one

C16H18N4O2 — CID 16666620

IUPAC3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one
SMILESCCc1cc2c(C3=NNC(=O)C3(C)C)ccc(C(C)=O)n2n1
InChIInChI=1S/C16H18N4O2/c1-5-10-8-13-11(14-16(3,4)15(22)18-17-14)6-7-12(9(2)21)20(13)19-10/h6-8H,5H2,1-4H3,(H,18,22)
InChIKeyOVBZNAFTGRNFAO-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.96
Rot. Bonds3

About 3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one

3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one (PubChem CID 16666620) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one
PubChem CID16666620
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one
SMILESCCc1cc2c(C3=NNC(=O)C3(C)C)ccc(C(C)=O)n2n1
InChIInChI=1S/C16H18N4O2/c1-5-10-8-13-11(14-16(3,4)15(22)18-17-14)6-7-12(9(2)21)20(13)19-10/h6-8H,5H2,1-4H3,(H,18,22)
InChIKeyOVBZNAFTGRNFAO-UHFFFAOYSA-N
XLogP1.96
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one (CID 16666620) is 3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one is CCc1cc2c(C3=NNC(=O)C3(C)C)ccc(C(C)=O)n2n1.
What is the InChIKey of 3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The InChIKey is OVBZNAFTGRNFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-5-10-8-13-11(14-16(3,4)15(22)18-17-14)6-7-12(9(2)21)20(13)19-10/h6-8H,5H2,1-4H3,(H,18,22).
What are the key properties of 3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one has a molecular weight of 298.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-acetyl-2-ethylpyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 16666620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).