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

C12H22N4O3S — CID 90648547

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)CCNS(C)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-9-11(10(2)15-14-9)6-8-16(3)12(17)5-7-13-20(4,18)19/h13H,5-8H2,1-4H3,(H,14,15)
InChIKeyGOXYTZOJCCMDMF-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.03
Rot. Bonds7

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

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide (PubChem CID 90648547) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide
PubChem CID90648547
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)CCNS(C)(=O)=O
InChIInChI=1S/C12H22N4O3S/c1-9-11(10(2)15-14-9)6-8-16(3)12(17)5-7-13-20(4,18)19/h13H,5-8H2,1-4H3,(H,14,15)
InChIKeyGOXYTZOJCCMDMF-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

Analyze N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{2-[(dimethylamino)sulfonyl]ethyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 72873501
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-L-isoleucinamide
CID 90649673
N~1~-(tert-butyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-beta-alaninamide
CID 91830246
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-1-sulfonyl fluoride
CID 166410614
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methylpropanamide
CID 68197500
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 68198111
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylacetamide;ethane
CID 176985494
3,5-dimethyl-N-(2-sulfamoylethyl)-1H-pyrazole-4-carboxamide
CID 43582899
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582919
3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 43629005
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 43644926
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide
CID 43645012

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide (CID 90648547) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide is Cc1n[nH]c(C)c1CCN(C)C(=O)CCNS(C)(=O)=O.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide?
The InChIKey is GOXYTZOJCCMDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-9-11(10(2)15-14-9)6-8-16(3)12(17)5-7-13-20(4,18)19/h13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide 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 N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(methanesulfonamido)-N-methylpropanamide is sourced from PubChem (CID 90648547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).