1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C25H22ClN5O3 — CID 108768804

IUPAC1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2cc(C)nn2-c2ccc3ccccc3n2)CC1=O
InChIInChI=1S/C25H22ClN5O3/c1-15-11-23(31(29-15)22-10-7-16-5-3-4-6-19(16)27-22)28-25(33)17-12-24(32)30(14-17)20-13-18(26)8-9-21(20)34-2/h3-11,13,17H,12,14H2,1-2H3,(H,28,33)
InChIKeyYDMOCWVPXMWROH-UHFFFAOYSA-N
MW475.94 g/mol
LogP4.38
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108768804) has the molecular formula C25H22ClN5O3 and a molecular weight of 475.94 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108768804
Molecular FormulaC25H22ClN5O3
Molecular Weight475.94 g/mol
Exact Mass475.14
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)Nc2cc(C)nn2-c2ccc3ccccc3n2)CC1=O
InChIInChI=1S/C25H22ClN5O3/c1-15-11-23(31(29-15)22-10-7-16-5-3-4-6-19(16)27-22)28-25(33)17-12-24(32)30(14-17)20-13-18(26)8-9-21(20)34-2/h3-11,13,17H,12,14H2,1-2H3,(H,28,33)
InChIKeyYDMOCWVPXMWROH-UHFFFAOYSA-N
XLogP4.38
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108768806
(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
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55483902
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
(3S)-1-(2-methoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 8762200
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide
CID 42651327
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
1-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191493

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 108768804) is 1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)Nc2cc(C)nn2-c2ccc3ccccc3n2)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YDMOCWVPXMWROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3/c1-15-11-23(31(29-15)22-10-7-16-5-3-4-6-19(16)27-22)28-25(33)17-12-24(32)30(14-17)20-13-18(26)8-9-21(20)34-2/h3-11,13,17H,12,14H2,1-2H3,(H,28,33).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 475.94 g/mol, XLogP of 4.38, 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-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108768804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).