2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide

C18H31N5O2 — CID 166619287

IUPAC2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)NCCCn2nc(C)cc2C)N1C
InChIInChI=1S/C18H31N5O2/c1-13-10-14(2)23(21-13)9-5-8-19-18(25)11-16-6-7-17(22(16)4)12-20-15(3)24/h10,16-17H,5-9,11-12H2,1-4H3,(H,19,25)(H,20,24)/t16-,17+/m0/s1
InChIKeyILMQDWSVZRJYHJ-DLBZAZTESA-N
MW349.48 g/mol
LogP1.00
Rot. Bonds8

About 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide

2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (PubChem CID 166619287) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
PubChem CID166619287
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)NCCCn2nc(C)cc2C)N1C
InChIInChI=1S/C18H31N5O2/c1-13-10-14(2)23(21-13)9-5-8-19-18(25)11-16-6-7-17(22(16)4)12-20-15(3)24/h10,16-17H,5-9,11-12H2,1-4H3,(H,19,25)(H,20,24)/t16-,17+/m0/s1
InChIKeyILMQDWSVZRJYHJ-DLBZAZTESA-N
XLogP1.00
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-(3-phenylpropyl)acetamide
CID 166615612
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
cis-(1R,2S)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124574731
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
CID 115573473
N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 30288555
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 115746711
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
CID 114536632

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide (CID 166619287) is 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is CC(=O)NC[C@H]1CC[C@@H](CC(=O)NCCCn2nc(C)cc2C)N1C.
What is the InChIKey of 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
The InChIKey is ILMQDWSVZRJYHJ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H31N5O2/c1-13-10-14(2)23(21-13)9-5-8-19-18(25)11-16-6-7-17(22(16)4)12-20-15(3)24/h10,16-17H,5-9,11-12H2,1-4H3,(H,19,25)(H,20,24)/t16-,17+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide?
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 166619287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).