N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide

C13H24N4OS — CID 71868828

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide
SMILESCCSCC(C)N(C)CC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C13H24N4OS/c1-6-19-8-9(2)17(5)7-12(18)14-13-10(3)15-16-11(13)4/h9H,6-8H2,1-5H3,(H,14,18)(H,15,16)
InChIKeyQVBVWBKASBAYGS-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.04
Rot. Bonds7

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide (PubChem CID 71868828) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide
PubChem CID71868828
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide
SMILESCCSCC(C)N(C)CC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C13H24N4OS/c1-6-19-8-9(2)17(5)7-12(18)14-13-10(3)15-16-11(13)4/h9H,6-8H2,1-5H3,(H,14,18)(H,15,16)
InChIKeyQVBVWBKASBAYGS-UHFFFAOYSA-N
XLogP2.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide (CID 71868828) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide is CCSCC(C)N(C)CC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide?
The InChIKey is QVBVWBKASBAYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-6-19-8-9(2)17(5)7-12(18)14-13-10(3)15-16-11(13)4/h9H,6-8H2,1-5H3,(H,14,18)(H,15,16).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide has a molecular weight of 284.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[1-ethylsulfanylpropan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 71868828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).