2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one

C10H16N2O — CID 114972564

IUPAC2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one
SMILESCC(C)C(C)C(=O)c1ccnn1C
InChIInChI=1S/C10H16N2O/c1-7(2)8(3)10(13)9-5-6-11-12(9)4/h5-8H,1-4H3
InChIKeyFMQJQYJMBWGAII-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.89
Rot. Bonds3

About 2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one

2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one (PubChem CID 114972564) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one
PubChem CID114972564
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one
SMILESCC(C)C(C)C(=O)c1ccnn1C
InChIInChI=1S/C10H16N2O/c1-7(2)8(3)10(13)9-5-6-11-12(9)4/h5-8H,1-4H3
InChIKeyFMQJQYJMBWGAII-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpyrazol-3-yl)-2-methylsulfonylpropan-1-one
CID 114972552
2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 116586751
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 103453934
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
3,4,4-trimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 114972598
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
1-(2-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 114972525
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
2-ethoxy-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 116707780
fluoro 2-methylpyrazole-3-carboxylate
CID 142292454

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one?
The IUPAC name of 2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one (CID 114972564) is 2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one is CC(C)C(C)C(=O)c1ccnn1C.
What is the InChIKey of 2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one?
The InChIKey is FMQJQYJMBWGAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)8(3)10(13)9-5-6-11-12(9)4/h5-8H,1-4H3.
What are the key properties of 2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one?
2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 114972564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).