2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone

C18H24N2O — CID 103130364

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(=O)c1ccn(C)n1
InChIInChI=1S/C18H24N2O/c1-12-9-14(18(3,4)5)10-13(2)15(12)11-17(21)16-7-8-20(6)19-16/h7-10H,11H2,1-6H3
InChIKeyJJCHYFPMIUJXGI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.76
Rot. Bonds3

About 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone

2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone (PubChem CID 103130364) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone
PubChem CID103130364
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(=O)c1ccn(C)n1
InChIInChI=1S/C18H24N2O/c1-12-9-14(18(3,4)5)10-13(2)15(12)11-17(21)16-7-8-20(6)19-16/h7-10H,11H2,1-6H3
InChIKeyJJCHYFPMIUJXGI-UHFFFAOYSA-N
XLogP3.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
CID 103133867
2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone
CID 60924746
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-3-yl)propane-1,3-dione
CID 103119486
2-(5-bromofuran-3-yl)-1-(1-methylpyrazol-3-yl)ethanone
CID 130631003
2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195468
tert-butyl 4-(1-methylpyrazol-3-yl)-4-oxobutanoate
CID 166705249
1-(1-methylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825110
1-(2,5-difluoro-4-methylphenyl)-3-(1-methylpyrazol-3-yl)propane-1,3-dione
CID 103119433
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103726489
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
CID 79567430
2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-3-yl)ethanone
CID 65195473
3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one
CID 103133558

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone (CID 103130364) is 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone is Cc1cc(C(C)(C)C)cc(C)c1CC(=O)c1ccn(C)n1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is JJCHYFPMIUJXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-9-14(18(3,4)5)10-13(2)15(12)11-17(21)16-7-8-20(6)19-16/h7-10H,11H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone?
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 103130364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).