1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone

C11H18N2O — CID 115093160

IUPAC1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(CC(C)(C)C)nn1C
InChIInChI=1S/C11H18N2O/c1-8(14)10-6-9(12-13(10)5)7-11(2,3)4/h6H,7H2,1-5H3
InChIKeyLPHIMMMIHZJSNB-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.21
Rot. Bonds2

About 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone

1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone (PubChem CID 115093160) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone
PubChem CID115093160
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(CC(C)(C)C)nn1C
InChIInChI=1S/C11H18N2O/c1-8(14)10-6-9(12-13(10)5)7-11(2,3)4/h6H,7H2,1-5H3
InChIKeyLPHIMMMIHZJSNB-UHFFFAOYSA-N
XLogP2.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-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

1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 177051073
4-amino-6-(2,2-dimethylpropyl)-2-methylpyridazin-3-one
CID 117127587
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
CID 82376195
1-[1-methyl-3-(thiolan-2-ylmethyl)pyrazol-5-yl]ethanone
CID 115092703
tert-butyl 3-ethyl-1-methylpyrazole-5-carboxylate
CID 66120943
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-(methylamino)butanamide
CID 119822884
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119822905
1-[1-methyl-3-[[(4-methylphenyl)methylamino]methyl]pyrazol-5-yl]ethanone;molecular hydrogen
CID 156713957
1-methyl-3-(sulfanylmethyl)pyrazole-5-carboxylic acid
CID 117215995
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone?
The IUPAC name of 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone (CID 115093160) is 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone is CC(=O)c1cc(CC(C)(C)C)nn1C.
What is the InChIKey of 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone?
The InChIKey is LPHIMMMIHZJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(14)10-6-9(12-13(10)5)7-11(2,3)4/h6H,7H2,1-5H3.
What are the key properties of 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone?
1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone has a molecular weight of 194.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]ethanone is sourced from PubChem (CID 115093160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).