2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone

C16H21N3O2 — CID 105090508

IUPAC2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2c(C)nn(C)c2C)c1C
InChIInChI=1S/C16H21N3O2/c1-9-8-17-13(10(2)16(9)21-6)7-14(20)15-11(3)18-19(5)12(15)4/h8H,7H2,1-6H3
InChIKeySYAJHHAFSQJOSD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 105090508) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID105090508
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2c(C)nn(C)c2C)c1C
InChIInChI=1S/C16H21N3O2/c1-9-8-17-13(10(2)16(9)21-6)7-14(20)15-11(3)18-19(5)12(15)4/h8H,7H2,1-6H3
InChIKeySYAJHHAFSQJOSD-UHFFFAOYSA-N
XLogP2.48
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 105090508) is 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone is COc1c(C)cnc(CC(=O)c2c(C)nn(C)c2C)c1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is SYAJHHAFSQJOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9-8-17-13(10(2)16(9)21-6)7-14(20)15-11(3)18-19(5)12(15)4/h8H,7H2,1-6H3.
What are the key properties of 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone?
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 287.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 105090508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).