2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide

C12H21N3O2 — CID 113346964

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC(C)(C)C(C)O)n1
InChIInChI=1S/C12H21N3O2/c1-8-6-9(2)15(14-8)7-11(17)13-12(4,5)10(3)16/h6,10,16H,7H2,1-5H3,(H,13,17)
InChIKeyQFESBJYIMDBCCA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.78
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide (PubChem CID 113346964) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
PubChem CID113346964
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC(C)(C)C(C)O)n1
InChIInChI=1S/C12H21N3O2/c1-8-6-9(2)15(14-8)7-11(17)13-12(4,5)10(3)16/h6,10,16H,7H2,1-5H3,(H,13,17)
InChIKeyQFESBJYIMDBCCA-UHFFFAOYSA-N
XLogP0.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113356416
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylbut-3-yn-2-yl)acetamide
CID 63999923
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261540
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-ethylbutanoic acid
CID 79807385
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037208
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
(2R)-2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 79011206
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368159
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 43648199

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide (CID 113346964) is 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide is Cc1cc(C)n(CC(=O)NC(C)(C)C(C)O)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide?
The InChIKey is QFESBJYIMDBCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-6-9(2)15(14-8)7-11(17)13-12(4,5)10(3)16/h6,10,16H,7H2,1-5H3,(H,13,17).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 113346964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).