5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one

C23H26N4O — CID 45176010

IUPAC5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CCNCc2ccccc2)N1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H26N4O/c28-23-12-11-21(13-15-24-17-19-5-2-1-3-6-19)26(23)18-20-7-9-22(10-8-20)27-16-4-14-25-27/h1-10,14,16,21,24H,11-13,15,17-18H2
InChIKeyRFCWLTIHCMSZQC-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.54
Rot. Bonds8

About 5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one

5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one (PubChem CID 45176010) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
PubChem CID45176010
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CCNCc2ccccc2)N1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H26N4O/c28-23-12-11-21(13-15-24-17-19-5-2-1-3-6-19)26(23)18-20-7-9-22(10-8-20)27-16-4-14-25-27/h1-10,14,16,21,24H,11-13,15,17-18H2
InChIKeyRFCWLTIHCMSZQC-UHFFFAOYSA-N
XLogP3.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[2-(benzylamino)ethyl]-1-prop-2-enylpyrrolidin-2-one
CID 42164276
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 42235949
(5R)-5-[2-(benzylamino)ethyl]-1-[(2S)-2-hydroxybutyl]pyrrolidin-2-one
CID 129490824
5-[2-(ethylamino)ethyl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 56858054
(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26356442
(5R)-5-[2-[(4-fluorophenyl)methylamino]ethyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 42330575
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
(5S)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(4-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 42239593
1-[(2-chlorophenyl)methyl]-5-[2-[(3-methylphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45176405
1-[(4-chlorophenyl)methyl]-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 45215570
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one (CID 45176010) is 5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one is O=C1CCC(CCNCc2ccccc2)N1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is RFCWLTIHCMSZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23-12-11-21(13-15-24-17-19-5-2-1-3-6-19)26(23)18-20-7-9-22(10-8-20)27-16-4-14-25-27/h1-10,14,16,21,24H,11-13,15,17-18H2.
What are the key properties of 5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one?
5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 374.49 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzylamino)ethyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 45176010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).