N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide

C10H17N3O3S — CID 104620236

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide
SMILESCCc1cn[nH]c1NC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-5-7-6-11-13-8(7)12-9(14)10(2,3)17(4,15)16/h6H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyWCPDOEPIUOXYFM-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.73
Rot. Bonds4

About N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide

N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 104620236) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID104620236
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide
SMILESCCc1cn[nH]c1NC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-5-7-6-11-13-8(7)12-9(14)10(2,3)17(4,15)16/h6H,5H2,1-4H3,(H2,11,12,13,14)
InChIKeyWCPDOEPIUOXYFM-UHFFFAOYSA-N
XLogP0.73
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide (CID 104620236) is N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide is CCc1cn[nH]c1NC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is WCPDOEPIUOXYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-5-7-6-11-13-8(7)12-9(14)10(2,3)17(4,15)16/h6H,5H2,1-4H3,(H2,11,12,13,14).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide?
N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 259.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 104620236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).