2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C23H24N4O2 — CID 87043890

IUPAC2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)C(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-22(25-20-10-4-9-19(15-20)17-26-13-6-12-24-26)23(29)27-14-5-11-21(27)16-18-7-2-1-3-8-18/h1-4,6-10,12-13,15,21H,5,11,14,16-17H2,(H,25,28)
InChIKeyNYFTXMRPFBRTGO-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.10
Rot. Bonds5

About 2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 87043890) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID87043890
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)C(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C23H24N4O2/c28-22(25-20-10-4-9-19(15-20)17-26-13-6-12-24-26)23(29)27-14-5-11-21(27)16-18-7-2-1-3-8-18/h1-4,6-10,12-13,15,21H,5,11,14,16-17H2,(H,25,28)
InChIKeyNYFTXMRPFBRTGO-UHFFFAOYSA-N
XLogP3.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 87039923
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796288
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 92613321
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 86988645
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111976294

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 87043890) is 2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is O=C(Nc1cccc(Cn2cccn2)c1)C(=O)N1CCCC1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is NYFTXMRPFBRTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(25-20-10-4-9-19(15-20)17-26-13-6-12-24-26)23(29)27-14-5-11-21(27)16-18-7-2-1-3-8-18/h1-4,6-10,12-13,15,21H,5,11,14,16-17H2,(H,25,28).
What are the key properties of 2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpyrrolidin-1-yl)-2-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 87043890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).