1-(1,4-dimethylpyrazol-3-yl)propan-2-one

C8H12N2O — CID 82594981

IUPAC1-(1,4-dimethylpyrazol-3-yl)propan-2-one
SMILESCC(=O)Cc1nn(C)cc1C
InChIInChI=1S/C8H12N2O/c1-6-5-10(3)9-8(6)4-7(2)11/h5H,4H2,1-3H3
InChIKeyMIPSAVQSKGSUAJ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.86
Rot. Bonds2

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

1-(1,4-dimethylpyrazol-3-yl)propan-2-one (PubChem CID 82594981) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,4-dimethylpyrazol-3-yl)propan-2-one
PubChem CID82594981
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(1,4-dimethylpyrazol-3-yl)propan-2-one
SMILESCC(=O)Cc1nn(C)cc1C
InChIInChI=1S/C8H12N2O/c1-6-5-10(3)9-8(6)4-7(2)11/h5H,4H2,1-3H3
InChIKeyMIPSAVQSKGSUAJ-UHFFFAOYSA-N
XLogP0.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dimethylpyrazol-3-yl)propan-2-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-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid
CID 82398939
2-[(1,4-dimethylpyrazol-3-yl)methyl-methylamino]ethanol
CID 165469366
1-(3-ethyl-1-methylpyrazol-4-yl)-2-methylprop-2-en-1-one
CID 102811784
1,4-dimethyl-3-(3-methylbutyl)pyrazole
CID 58990513
N-[(1,4-dimethylpyrazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 146104070
N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 166315041
1-[(1,4-dimethylpyrazol-3-yl)methyl]-4-methylpyrazol-3-amine
CID 165480403
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 112671315
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide
CID 83617588
1-(2-methylpyrazolo[1,5-a]pyridin-6-yl)propan-2-one
CID 83876913

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(1,4-dimethylpyrazol-3-yl)propan-2-one (CID 82594981) is 1-(1,4-dimethylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(1,4-dimethylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(1,4-dimethylpyrazol-3-yl)propan-2-one is CC(=O)Cc1nn(C)cc1C.
What is the InChIKey of 1-(1,4-dimethylpyrazol-3-yl)propan-2-one?
The InChIKey is MIPSAVQSKGSUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-10(3)9-8(6)4-7(2)11/h5H,4H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpyrazol-3-yl)propan-2-one?
1-(1,4-dimethylpyrazol-3-yl)propan-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 82594981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).