N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide

C11H19N3O3S — CID 46988502

IUPACN-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide
SMILESCC(C)C(C)n1nccc1NC(=O)CS(C)(=O)=O
InChIInChI=1S/C11H19N3O3S/c1-8(2)9(3)14-10(5-6-12-14)13-11(15)7-18(4,16)17/h5-6,8-9H,7H2,1-4H3,(H,13,15)
InChIKeyRNNMOSVYUAPZOQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.08
Rot. Bonds5

About N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide

N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide (PubChem CID 46988502) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide
PubChem CID46988502
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide
SMILESCC(C)C(C)n1nccc1NC(=O)CS(C)(=O)=O
InChIInChI=1S/C11H19N3O3S/c1-8(2)9(3)14-10(5-6-12-14)13-11(15)7-18(4,16)17/h5-6,8-9H,7H2,1-4H3,(H,13,15)
InChIKeyRNNMOSVYUAPZOQ-UHFFFAOYSA-N
XLogP1.08
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide
CID 45246652
N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(1-propylpiperidin-4-yl)acetamide
CID 46992547
2-amino-N-[2-(3,3-dimethylbutan-2-yl)pyrazol-3-yl]acetamide
CID 121209387
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
2-[methyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
CID 43442439
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772250
4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide
CID 118761775
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-methylsulfonylbenzoate
CID 18083220
3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 47048221
2-(cyclopropylamino)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 60687383
2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide?
The IUPAC name of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide (CID 46988502) is N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide is CC(C)C(C)n1nccc1NC(=O)CS(C)(=O)=O.
What is the InChIKey of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide?
The InChIKey is RNNMOSVYUAPZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8(2)9(3)14-10(5-6-12-14)13-11(15)7-18(4,16)17/h5-6,8-9H,7H2,1-4H3,(H,13,15).
What are the key properties of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide?
N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide has a molecular weight of 273.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide is sourced from PubChem (CID 46988502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).