1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C25H28N4O4 — CID 43059769

IUPAC1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(Cn2nccc2NC(=O)C2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1
InChIInChI=1S/C25H28N4O4/c1-4-17-5-7-18(8-6-17)15-29-23(11-12-26-29)27-25(31)19-13-24(30)28(16-19)21-14-20(32-2)9-10-22(21)33-3/h5-12,14,19H,4,13,15-16H2,1-3H3,(H,27,31)
InChIKeyDIPJWWHTUMBNTJ-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.50
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43059769) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43059769
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(Cn2nccc2NC(=O)C2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1
InChIInChI=1S/C25H28N4O4/c1-4-17-5-7-18(8-6-17)15-29-23(11-12-26-29)27-25(31)19-13-24(30)28(16-19)21-14-20(32-2)9-10-22(21)33-3/h5-12,14,19H,4,13,15-16H2,1-3H3,(H,27,31)
InChIKeyDIPJWWHTUMBNTJ-UHFFFAOYSA-N
XLogP3.50
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43053914
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55776717
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737
(3R)-1-(2,5-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 9396685
(3S)-1-(2,5-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94022838
ethyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9395534
dimethyl 5-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 17187473
1-(2,5-dimethoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 46584301
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9396752
methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9395060
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 43059769) is 1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(Cn2nccc2NC(=O)C2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DIPJWWHTUMBNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-4-17-5-7-18(8-6-17)15-29-23(11-12-26-29)27-25(31)19-13-24(30)28(16-19)21-14-20(32-2)9-10-22(21)33-3/h5-12,14,19H,4,13,15-16H2,1-3H3,(H,27,31).
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43059769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).