3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide

C11H20N4OS — CID 55071061

IUPAC3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(CSc1cc(C)nn1C)C(N)=O
InChIInChI=1S/C11H20N4OS/c1-5-13-11(3,10(12)16)7-17-9-6-8(2)14-15(9)4/h6,13H,5,7H2,1-4H3,(H2,12,16)
InChIKeyQLNQMBGRQZNUDN-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.67
Rot. Bonds6

About 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide

3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide (PubChem CID 55071061) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide
PubChem CID55071061
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(CSc1cc(C)nn1C)C(N)=O
InChIInChI=1S/C11H20N4OS/c1-5-13-11(3,10(12)16)7-17-9-6-8(2)14-15(9)4/h6,13H,5,7H2,1-4H3,(H2,12,16)
InChIKeyQLNQMBGRQZNUDN-UHFFFAOYSA-N
XLogP0.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide (CID 55071061) is 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide is CCNC(C)(CSc1cc(C)nn1C)C(N)=O.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide?
The InChIKey is QLNQMBGRQZNUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-5-13-11(3,10(12)16)7-17-9-6-8(2)14-15(9)4/h6,13H,5,7H2,1-4H3,(H2,12,16).
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide?
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide has a molecular weight of 256.37 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 55071061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).