1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C25H28N4O3 — CID 42958868

IUPAC1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCCCc3cn(-c4ccccc4)nc3C)CC2=O)cc1
InChIInChI=1S/C25H28N4O3/c1-18-19(17-29(27-18)22-8-4-3-5-9-22)7-6-14-26-25(31)20-15-24(30)28(16-20)21-10-12-23(32-2)13-11-21/h3-5,8-13,17,20H,6-7,14-16H2,1-2H3,(H,26,31)
InChIKeyUGFQLKNKZZUUIS-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.29
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42958868) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42958868
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCCCc3cn(-c4ccccc4)nc3C)CC2=O)cc1
InChIInChI=1S/C25H28N4O3/c1-18-19(17-29(27-18)22-8-4-3-5-9-22)7-6-14-26-25(31)20-15-24(30)28(16-20)21-10-12-23(32-2)13-11-21/h3-5,8-13,17,20H,6-7,14-16H2,1-2H3,(H,26,31)
InChIKeyUGFQLKNKZZUUIS-UHFFFAOYSA-N
XLogP3.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55721991
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-(3-formamidopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785659
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 124760136
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
(3R)-1-(4-methoxyphenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 2174553
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 42958868) is 1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCCCc3cn(-c4ccccc4)nc3C)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UGFQLKNKZZUUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-18-19(17-29(27-18)22-8-4-3-5-9-22)7-6-14-26-25(31)20-15-24(30)28(16-20)21-10-12-23(32-2)13-11-21/h3-5,8-13,17,20H,6-7,14-16H2,1-2H3,(H,26,31).
What are the key properties of 1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42958868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).