2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone

C12H13N3O — CID 105123749

IUPAC2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccn(C)n2)cn1
InChIInChI=1S/C12H13N3O/c1-9-3-4-10(8-13-9)12(16)7-11-5-6-15(2)14-11/h3-6,8H,7H2,1-2H3
InChIKeyYXBMCMOSLWADID-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.55
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone

2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 105123749) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone
PubChem CID105123749
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(C(=O)Cc2ccn(C)n2)cn1
InChIInChI=1S/C12H13N3O/c1-9-3-4-10(8-13-9)12(16)7-11-5-6-15(2)14-11/h3-6,8H,7H2,1-2H3
InChIKeyYXBMCMOSLWADID-UHFFFAOYSA-N
XLogP1.55
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone (CID 105123749) is 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(C(=O)Cc2ccn(C)n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is YXBMCMOSLWADID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-3-4-10(8-13-9)12(16)7-11-5-6-15(2)14-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone?
2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 215.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105123749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).