1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide

C23H23ClN4O4 — CID 112759173

IUPAC1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O
InChIInChI=1S/C23H23ClN4O4/c1-14-21(23(31)28(26(14)2)17-7-5-4-6-8-17)25-22(30)15-11-20(29)27(13-15)18-12-16(24)9-10-19(18)32-3/h4-10,12,15H,11,13H2,1-3H3,(H,25,30)
InChIKeyGRNFISMVXKFOSR-UHFFFAOYSA-N
MW454.91 g/mol
LogP3.14
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 112759173) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID112759173
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O
InChIInChI=1S/C23H23ClN4O4/c1-14-21(23(31)28(26(14)2)17-7-5-4-6-8-17)25-22(30)15-11-20(29)27(13-15)18-12-16(24)9-10-19(18)32-3/h4-10,12,15H,11,13H2,1-3H3,(H,25,30)
InChIKeyGRNFISMVXKFOSR-UHFFFAOYSA-N
XLogP3.14
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
1-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191493
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55337356
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 41156421
(3R)-1-(5-chloro-2,4-dimethoxyphenyl)-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 39911369
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17498458

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 112759173) is 1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GRNFISMVXKFOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-14-21(23(31)28(26(14)2)17-7-5-4-6-8-17)25-22(30)15-11-20(29)27(13-15)18-12-16(24)9-10-19(18)32-3/h4-10,12,15H,11,13H2,1-3H3,(H,25,30).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 454.91 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112759173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).