3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide

C12H17N3O3S — CID 91840119

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC2C=CS(=O)(=O)C2)n1
InChIInChI=1S/C12H17N3O3S/c1-9-7-10(2)15(14-9)5-3-12(16)13-11-4-6-19(17,18)8-11/h4,6-7,11H,3,5,8H2,1-2H3,(H,13,16)
InChIKeyUAXDUDBAQWDESL-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.32
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide (PubChem CID 91840119) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide
PubChem CID91840119
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC2C=CS(=O)(=O)C2)n1
InChIInChI=1S/C12H17N3O3S/c1-9-7-10(2)15(14-9)5-3-12(16)13-11-4-6-19(17,18)8-11/h4,6-7,11H,3,5,8H2,1-2H3,(H,13,16)
InChIKeyUAXDUDBAQWDESL-UHFFFAOYSA-N
XLogP0.32
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 45147635
N-[3-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 53625103
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 56781750
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}propanamide
CID 91911017
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19557488
N-{2-[(dimethylamino)sulfonyl]ethyl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 56757142
N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 75510645
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,1-dioxothian-4-amine
CID 129611339
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide
CID 19563581
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-sulfanylethyl)propanamide
CID 19566446
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35293078
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35293085

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide (CID 91840119) is 3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide is Cc1cc(C)n(CCC(=O)NC2C=CS(=O)(=O)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide?
The InChIKey is UAXDUDBAQWDESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-7-10(2)15(14-9)5-3-12(16)13-11-4-6-19(17,18)8-11/h4,6-7,11H,3,5,8H2,1-2H3,(H,13,16).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide has a molecular weight of 283.35 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide is sourced from PubChem (CID 91840119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).