(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one

C23H26N4O2 — CID 25292872

IUPAC(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
SMILESCOc1ccc(CCN2C[C@@H](NCc3ccc(-n4cccn4)cc3)CC2=O)cc1
InChIInChI=1S/C23H26N4O2/c1-29-22-9-5-18(6-10-22)11-14-26-17-20(15-23(26)28)24-16-19-3-7-21(8-4-19)27-13-2-12-25-27/h2-10,12-13,20,24H,11,14-17H2,1H3/t20-/m0/s1
InChIKeyAZBNKIPIRWWEHH-FQEVSTJZSA-N
MW390.49 g/mol
LogP2.81
Rot. Bonds8

About (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one

(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one (PubChem CID 25292872) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
PubChem CID25292872
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
SMILESCOc1ccc(CCN2C[C@@H](NCc3ccc(-n4cccn4)cc3)CC2=O)cc1
InChIInChI=1S/C23H26N4O2/c1-29-22-9-5-18(6-10-22)11-14-26-17-20(15-23(26)28)24-16-19-3-7-21(8-4-19)27-13-2-12-25-27/h2-10,12-13,20,24H,11,14-17H2,1H3/t20-/m0/s1
InChIKeyAZBNKIPIRWWEHH-FQEVSTJZSA-N
XLogP2.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 45209241
(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 42287956
1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 45229589
4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45231611
1-[2-(4-methoxyphenyl)ethyl]-4-[(5-methyl-1H-imidazol-4-yl)methylamino]pyrrolidin-2-one
CID 45250844
(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 42210577
4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45235933
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
(4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 42454129
(4R)-4-(dimethylsulfamoylamino)-1-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine
CID 42362146
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 26335253
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one (CID 25292872) is (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one is COc1ccc(CCN2C[C@@H](NCc3ccc(-n4cccn4)cc3)CC2=O)cc1.
What is the InChIKey of (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
The InChIKey is AZBNKIPIRWWEHH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-22-9-5-18(6-10-22)11-14-26-17-20(15-23(26)28)24-16-19-3-7-21(8-4-19)27-13-2-12-25-27/h2-10,12-13,20,24H,11,14-17H2,1H3/t20-/m0/s1.
What are the key properties of (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one has a molecular weight of 390.49 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 25292872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).