1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one

C10H16N2O — CID 126974372

IUPAC1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one
SMILESCc1cc(C(=O)CC(C)C)nn1C
InChIInChI=1S/C10H16N2O/c1-7(2)5-10(13)9-6-8(3)12(4)11-9/h6-7H,5H2,1-4H3
InChIKeyUAHXUPMYMZVSPJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.96
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one

1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one (PubChem CID 126974372) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one
PubChem CID126974372
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one
SMILESCc1cc(C(=O)CC(C)C)nn1C
InChIInChI=1S/C10H16N2O/c1-7(2)5-10(13)9-6-8(3)12(4)11-9/h6-7H,5H2,1-4H3
InChIKeyUAHXUPMYMZVSPJ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 130485661
1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride
CID 159984372
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
(3R,4R)-4-[2-(1,5-dimethylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one
CID 58633437
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672
1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea
CID 22305911
1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
CID 159297016
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
N-[(1-hydroxycyclopentyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 113236280
carbon dioxide;ethyl 1,5-dimethylpyrazole-3-carboxylate
CID 160757130

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one (CID 126974372) is 1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one is Cc1cc(C(=O)CC(C)C)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one?
The InChIKey is UAHXUPMYMZVSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)5-10(13)9-6-8(3)12(4)11-9/h6-7H,5H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one?
1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one is sourced from PubChem (CID 126974372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).