1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone

C13H15N3O — CID 105084447

IUPAC1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCc1ccc(C(=O)Cc2cnn(C)c2)c(C)n1
InChIInChI=1S/C13H15N3O/c1-9-4-5-12(10(2)15-9)13(17)6-11-7-14-16(3)8-11/h4-5,7-8H,6H2,1-3H3
InChIKeyJBIXEFMBCZQAAE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds3

About 1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone

1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 105084447) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID105084447
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCc1ccc(C(=O)Cc2cnn(C)c2)c(C)n1
InChIInChI=1S/C13H15N3O/c1-9-4-5-12(10(2)15-9)13(17)6-11-7-14-16(3)8-11/h4-5,7-8H,6H2,1-3H3
InChIKeyJBIXEFMBCZQAAE-UHFFFAOYSA-N
XLogP1.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 102802676
(2,6-dimethyl-3-pyridinyl)-(1-methylpyrazol-4-yl)methanone
CID 105082299
2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124105
1-(2-amino-5-bromophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 82703777
1-(3-bromo-2-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965321
1-(furan-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 62717295
1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126213
1-(5-bromofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965218
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanone
CID 107890839
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288203
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 103124107
1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109982

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone (CID 105084447) is 1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone is Cc1ccc(C(=O)Cc2cnn(C)c2)c(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is JBIXEFMBCZQAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-5-12(10(2)15-9)13(17)6-11-7-14-16(3)8-11/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone?
1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 105084447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).