1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone

C11H18N2O2 — CID 123669934

IUPAC1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone
SMILESCC(C)C(C)(C)n1cc(C(=O)CO)cn1
InChIInChI=1S/C11H18N2O2/c1-8(2)11(3,4)13-6-9(5-12-13)10(15)7-14/h5-6,8,14H,7H2,1-4H3
InChIKeyGXPCYCYQGBYZNO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.45
Rot. Bonds4

About 1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone

1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone (PubChem CID 123669934) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone
PubChem CID123669934
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone
SMILESCC(C)C(C)(C)n1cc(C(=O)CO)cn1
InChIInChI=1S/C11H18N2O2/c1-8(2)11(3,4)13-6-9(5-12-13)10(15)7-14/h5-6,8,14H,7H2,1-4H3
InChIKeyGXPCYCYQGBYZNO-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone
CID 84732384
1-tert-butylpyrazole-4-carbonyl chloride
CID 130058183
1-[1-(1,1,2-trifluoroethyl)pyrazol-4-yl]ethanone
CID 140870847
ethyl 2-(1-tert-butylpyrazole-4-carbonyl)-3-methylbutanoate
CID 134441087
1,1,1-trifluoropropan-2-yl 1-tert-butylpyrazole-4-carboxylate
CID 71987390
1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622293
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
3-amino-3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116580990
1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-1-one
CID 63891496
ethyl 1-(1-amino-2-methylpropan-2-yl)pyrazole-4-carboxylate
CID 104523331
1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 94823029
2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 122192591

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone?
The IUPAC name of 1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone (CID 123669934) is 1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone is CC(C)C(C)(C)n1cc(C(=O)CO)cn1.
What is the InChIKey of 1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone?
The InChIKey is GXPCYCYQGBYZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)11(3,4)13-6-9(5-12-13)10(15)7-14/h5-6,8,14H,7H2,1-4H3.
What are the key properties of 1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone?
1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone has a molecular weight of 210.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dimethylbutan-2-yl)pyrazol-4-yl]-2-hydroxyethanone is sourced from PubChem (CID 123669934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).