N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide

C11H20N4O3S — CID 47466494

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(C(C)(C)C)[nH]n1)S(C)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-11(2,3)8-6-9(14-13-8)12-10(16)7-15(4)19(5,17)18/h6H,7H2,1-5H3,(H2,12,13,14,16)
InChIKeyOTPXPTXZQDCKIM-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.54
Rot. Bonds4

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 47466494) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID47466494
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cc(C(C)(C)C)[nH]n1)S(C)(=O)=O
InChIInChI=1S/C11H20N4O3S/c1-11(2,3)8-6-9(14-13-8)12-10(16)7-15(4)19(5,17)18/h6H,7H2,1-5H3,(H2,12,13,14,16)
InChIKeyOTPXPTXZQDCKIM-UHFFFAOYSA-N
XLogP0.54
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide (CID 47466494) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)Nc1cc(C(C)(C)C)[nH]n1)S(C)(=O)=O.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is OTPXPTXZQDCKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-11(2,3)8-6-9(14-13-8)12-10(16)7-15(4)19(5,17)18/h6H,7H2,1-5H3,(H2,12,13,14,16).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 288.37 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 47466494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).