1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid
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![1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f49bf39175a24fc4b200d860aabe9f58.png "1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid")
1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid
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CAS No:
206884-98-2
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Formula:
C16H17N3O3
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Chemical Name:
1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid
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Synonyms:
1-(3-cyano-4-neopentyloxyphenyl)pyrazole-4-carboxylic acid;1-(CN)PCA;Y-700;niraxostat;Piraxostat;206884-98-2;Y 700;Y-700;UNII-246FR6022S;CHEMBL169526;1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID;246FR6022S;1-(3-cyano-4-neopentyloxyphenyl) pyrazole-4-carboxylic acid;1-[3-Cyano-4-(2,2-dimethyl-propoxy)-phenyl]-1H-pyrazole-4-carboxylic acid;1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1h-pyrazole-4-carboxylic acid;Niraxostat [INN];MLS006010327;YSH;SCHEMBL440021;ZINC7343;DTXSID70174747;1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid;BDBM50098068;DB03841;NCGC00263135-01;SMR004701391;FT-0728443;Q27094715
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CAS No:
1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid Basic Attributes
299.32 g/mol
299.12699141 g/mol
246FR6022S
DTXSID70174747
Computed Properties
Molecular Weight:299.32
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:299.12699141
Monoisotopic Mass:299.12699141
Topological Polar Surface Area:88.1
Heavy Atom Count:22
Complexity:451
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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