2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one

C8H14N2O — CID 86124246

IUPAC2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
SMILESCC(C)C(=O)N1N=CCC1C
InChIInChI=1S/C8H14N2O/c1-6(2)8(11)10-7(3)4-5-9-10/h5-7H,4H2,1-3H3
InChIKeyBGQWKMXSLNLJQI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.25
Rot. Bonds1

About 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one

2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one (PubChem CID 86124246) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
PubChem CID86124246
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
SMILESCC(C)C(=O)N1N=CCC1C
InChIInChI=1S/C8H14N2O/c1-6(2)8(11)10-7(3)4-5-9-10/h5-7H,4H2,1-3H3
InChIKeyBGQWKMXSLNLJQI-UHFFFAOYSA-N
XLogP1.25
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one 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

2,2-dichloro-1-(3-methyl-3,4-dihydropyrazol-2-yl)ethanone
CID 13423649
[(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 10313453
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
2-methyl-1-[(2S,6S)-2,4,6-trimethylpiperidin-1-yl]propan-1-one
CID 160985602
(3S)-3,4-dihydropyrazole-2,3-dicarboxylic acid
CID 140600044
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 131131296
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-methylpropan-1-one
CID 54261478
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 64593407
2-methyl-1-[(2R,4S)-2-methyl-4-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 177012883
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-one
CID 90295798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one (CID 86124246) is 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one is CC(C)C(=O)N1N=CCC1C.
What is the InChIKey of 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one?
The InChIKey is BGQWKMXSLNLJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)8(11)10-7(3)4-5-9-10/h5-7H,4H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one?
2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-3,4-dihydropyrazol-2-yl)propan-1-one is sourced from PubChem (CID 86124246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).