3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide

C12H22N4O3S — CID 72873501

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C12H22N4O3S/c1-9-11(10(2)15-14-9)5-6-12(17)13-7-8-20(18,19)16(3)4/h5-8H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyNRBNVAWVYFWSMG-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.03
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide (PubChem CID 72873501) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide
PubChem CID72873501
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C12H22N4O3S/c1-9-11(10(2)15-14-9)5-6-12(17)13-7-8-20(18,19)16(3)4/h5-8H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyNRBNVAWVYFWSMG-UHFFFAOYSA-N
XLogP-0.03
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-4-YL)-1-[3-(1-methanesulfonylpiperidin-4-YL)pyrrolidin-1-YL]propan-1-one
CID 91910347
N~1~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-YL]-3-(3,5-dimethyl-1H-pyrazol-4-YL)propanamide
CID 91923216
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-N~3~-(methylsulfonyl)-beta-alaninamide
CID 90648547
N-(1-cyanobutan-2-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 127264834
N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 132971907
N-cycloheptyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 9166018
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-ethylsulfonylpiperidin-4-yl)propanamide
CID 25671332
N-{2-[(methylsulfonyl)amino]ethyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 38827935
3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide
CID 43582899
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 46456141
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[ethyl(methylsulfonyl)amino]propyl]propanamide
CID 55956884
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylsulfonylpropyl)propanamide
CID 60550127

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide (CID 72873501) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide is Cc1n[nH]c(C)c1CCC(=O)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
The InChIKey is NRBNVAWVYFWSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-9-11(10(2)15-14-9)5-6-12(17)13-7-8-20(18,19)16(3)4/h5-8H2,1-4H3,(H,13,17)(H,14,15).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide has a molecular weight of 302.40 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(dimethylsulfamoyl)ethyl]propanamide is sourced from PubChem (CID 72873501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).