3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carbonyl]amino]benzoic acid
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![3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carbonyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/270949db9cba4628971270bf3dd84912.png "3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carbonyl]amino]benzoic acid")
3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carbonyl]amino]benzoic acid
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CAS No:
956949-42-1
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Formula:
C22H20N4O5
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Chemical Name:
3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carbonyl]amino]benzoic acid
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Synonyms:
3-({[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]carbonyl}amino)benzoic acid;MLS000974482;CHEMBL1602551;HMS2835H10;ZINC3356880;AKOS001068763;MCULE-6077102766;SMR000498186;SR-01000290135;SR-01000290135-1;Z57992899;3-[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-amido]benzoic acid;956949-42-1
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CAS No:
3-[[1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carbonyl]amino]benzoic acid Basic Attributes
420.4 g/mol
420.14336975 g/mol
Computed Properties
Molecular Weight:420.4
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:420.14336975
Monoisotopic Mass:420.14336975
Topological Polar Surface Area:127
Heavy Atom Count:31
Complexity:680
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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