1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one

C10H16N2O — CID 176935351

IUPAC1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one
SMILESCCCC(=O)c1c(C)c(C)nn1C
InChIInChI=1S/C10H16N2O/c1-5-6-9(13)10-7(2)8(3)11-12(10)4/h5-6H2,1-4H3
InChIKeyNDHFIBKPJPOCNR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.02
Rot. Bonds3

About 1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one

1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one (PubChem CID 176935351) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one
PubChem CID176935351
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one
SMILESCCCC(=O)c1c(C)c(C)nn1C
InChIInChI=1S/C10H16N2O/c1-5-6-9(13)10-7(2)8(3)11-12(10)4/h5-6H2,1-4H3
InChIKeyNDHFIBKPJPOCNR-UHFFFAOYSA-N
XLogP2.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4,5-trimethylpyrazol-3-yl)butan-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

1-methyl-1H,4H,5H,6H-cyclopenta(c)pyrazole-3-carbaldehyde
CID 28808656
2-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carbaldehyde
CID 83383385
1-(5-Cyclopropyl-1-methyl-1H-pyrazol-3-yl)ethanone
CID 84651886
1-(trimethyl-1H-pyrazol-4-yl)propan-1-one
CID 793095
2-methyl-2H,4H,5H,6H-cyclopenta(c)pyrazole-3-carbaldehyde
CID 83862943
1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-1,3-butanedione
CID 781105
2,2-Dimethyl-1-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one
CID 59637063
1-[2,5-Dimethyl-4-(trifluoromethyl)pyrazol-3-yl]ethanone
CID 59942312
4,4-Difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one
CID 71204346
2-Methyl-1-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one
CID 83388678
1-(4-Fluoro-1,5-dimethylpyrazol-3-yl)ethanone
CID 89032495
1-(4-Fluoro-1,3-dimethylpyrazol-5-yl)ethanone
CID 89147309

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one?
The IUPAC name of 1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one (CID 176935351) is 1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one is CCCC(=O)c1c(C)c(C)nn1C.
What is the InChIKey of 1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one?
The InChIKey is NDHFIBKPJPOCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-6-9(13)10-7(2)8(3)11-12(10)4/h5-6H2,1-4H3.
What are the key properties of 1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one?
1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 176935351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).