N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide

C15H27N5O3S — CID 72890020

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide
SMILESCCC[C@@H]1CN(CC(=O)Nc2cn(C)nc2C)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H27N5O3S/c1-5-6-12-7-20(9-14(12)18-24(4,22)23)10-15(21)16-13-8-19(3)17-11(13)2/h8,12,14,18H,5-7,9-10H2,1-4H3,(H,16,21)/t12-,14-/m1/s1
InChIKeyCSOHPCPUMPXMLO-TZMCWYRMSA-N
MW357.48 g/mol
LogP0.32
Rot. Bonds7

About N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide

N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide (PubChem CID 72890020) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide
PubChem CID72890020
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide
SMILESCCC[C@@H]1CN(CC(=O)Nc2cn(C)nc2C)C[C@H]1NS(C)(=O)=O
InChIInChI=1S/C15H27N5O3S/c1-5-6-12-7-20(9-14(12)18-24(4,22)23)10-15(21)16-13-8-19(3)17-11(13)2/h8,12,14,18H,5-7,9-10H2,1-4H3,(H,16,21)/t12-,14-/m1/s1
InChIKeyCSOHPCPUMPXMLO-TZMCWYRMSA-N
XLogP0.32
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide 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-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide
CID 135092936
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide
CID 133118794
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 164641373
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
CID 46981177
N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70726445
N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70742263
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346068
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
N-[(3R,4S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclopropanesulfonamide;hydrochloride
CID 154899203
ethyl 2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylate
CID 70775705

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide (CID 72890020) is N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide is CCC[C@@H]1CN(CC(=O)Nc2cn(C)nc2C)C[C@H]1NS(C)(=O)=O.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide?
The InChIKey is CSOHPCPUMPXMLO-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-5-6-12-7-20(9-14(12)18-24(4,22)23)10-15(21)16-13-8-19(3)17-11(13)2/h8,12,14,18H,5-7,9-10H2,1-4H3,(H,16,21)/t12-,14-/m1/s1.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 72890020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).