N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide

C17H30N4O3S — CID 164641373

IUPACN-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H30N4O3S/c1-6-7-14-10-21(11-16(14)19-25(5,23)24)17(22)9-8-15-12(2)18-20(4)13(15)3/h14,16,19H,6-11H2,1-5H3/t14-,16-/m0/s1
InChIKeyIAZOKXCLJNAONQ-HOCLYGCPSA-N
MW370.52 g/mol
LogP1.15
Rot. Bonds7

About N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 164641373) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID164641373
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC NameN-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCCC[C@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C17H30N4O3S/c1-6-7-14-10-21(11-16(14)19-25(5,23)24)17(22)9-8-15-12(2)18-20(4)13(15)3/h14,16,19H,6-11H2,1-5H3/t14-,16-/m0/s1
InChIKeyIAZOKXCLJNAONQ-HOCLYGCPSA-N
XLogP1.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155495570
N-[(3S,4R)-1-[3-(2-oxo-1-pyridinyl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133132819
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172670915
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032850
1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
3-cyclopentyl-1-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021038
N-[(3S,4R)-1-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70739078
1-thiomorpholin-4-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71688984
1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 24669751
ethyl 1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 71688982
N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]acetamide
CID 72890020
N-[(3S,4R)-1-(2,5-dimethylfuran-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70740824

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide (CID 164641373) is N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide is CCC[C@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IAZOKXCLJNAONQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-6-7-14-10-21(11-16(14)19-25(5,23)24)17(22)9-8-15-12(2)18-20(4)13(15)3/h14,16,19H,6-11H2,1-5H3/t14-,16-/m0/s1.
What are the key properties of N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 164641373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).