N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C25H30N4O — CID 119038675

IUPACN-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C2CCN(CC(Cc3ccccc3)Cc3ccccc3)C2)n1
InChIInChI=1S/C25H30N4O/c1-20(30)26-25-13-15-29(27-25)24-12-14-28(19-24)18-23(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22/h2-11,13,15,23-24H,12,14,16-19H2,1H3,(H,26,27,30)
InChIKeyKARNLJCDSALMLB-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.19
Rot. Bonds8

About N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 119038675) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID119038675
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C2CCN(CC(Cc3ccccc3)Cc3ccccc3)C2)n1
InChIInChI=1S/C25H30N4O/c1-20(30)26-25-13-15-29(27-25)24-12-14-28(19-24)18-23(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22/h2-11,13,15,23-24H,12,14,16-19H2,1H3,(H,26,27,30)
InChIKeyKARNLJCDSALMLB-UHFFFAOYSA-N
XLogP4.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129341818
N-[1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129006730
1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid
CID 122036313
N-[1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129339923
N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129338235
N-[1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129003877
N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129335489
N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129328085
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
N-[1-[(3S)-1-[(2R)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327404
N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129330227

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 119038675) is N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C2CCN(CC(Cc3ccccc3)Cc3ccccc3)C2)n1.
What is the InChIKey of N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is KARNLJCDSALMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-20(30)26-25-13-15-29(27-25)24-12-14-28(19-24)18-23(16-21-8-4-2-5-9-21)17-22-10-6-3-7-11-22/h2-11,13,15,23-24H,12,14,16-19H2,1H3,(H,26,27,30).
What are the key properties of N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 402.54 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 119038675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).