Name: Name:1-(2,2,2-Trifluoroethyl)-1h-pyrazole-4-carboxylic acid
Brand: AABLOCKS
SKU: AA002WL9
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA002WL9

Chemical Name: 1-(2,2,2-Trifluoroethyl)-1h-pyrazole-4-carboxylic acid

CAS Number: 288251-60-5

Molecular Formula: C6H5F3N2O2

Molecular Weight: 194.1113

MDL Number: MFCD08556229

SMILES: OC(=O)c1cnn(c1)CC(F)(F)F

Properties

Complexity: 207

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 6

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.8

Downstream Synthesis Route

ethyl1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate

288251-60-5

[1]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP1176140,2002,A1Locationinpatent:Page46

[2]CurrentPatentAssignee:STACHELSHAWNJ;SCHUBERTJEFFREYW;MERCK&COINC;COXJASONM;SHAHAKSHAYA;PERKINSJAMESJ;LAYTONMARKE;OLSENJAMEST;BURGEYCHRISTOPHERS;BELLIANM;KELLYMICHAELJIII;VANHEYSTMICHAELD-WO2021/257418,2021,A1Locationinpatent:Page/Pagecolumn82

206885-36-1

288251-60-5

N-(3-cyano-4-neopentyloxyphenyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

[1]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP1176140,2002,A1Locationinpatent:Page90-91

288251-60-5

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N-methoxy-N-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

[1]CurrentPatentAssignee:STACHELSHAWNJ;SCHUBERTJEFFREYW;MERCK&COINC;COXJASONM;SHAHAKSHAYA;PERKINSJAMESJ;LAYTONMARKE;OLSENJAMEST;BURGEYCHRISTOPHERS;BELLIANM;KELLYMICHAELJIII;VANHEYSTMICHAELD-WO2021/257418,2021,A1Locationinpatent:Page/Pagecolumn82-83

methyl1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate

288251-60-5

[1]CurrentPatentAssignee:ESCIENTPHARMACEUTICALS-WO2022/125636,2022,A1Locationinpatent:Page/Pagecolumn84

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4-(((1s,4s)-4-aminocyclohexyl)amino)-2-(trifluoromethyl)benzonitrile

N-((1s,4s)-4-((4-cyano-3-(trifluoromethyl)phenyl)amino)cyclohexyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

[1]CurrentPatentAssignee:ESCIENTPHARMACEUTICALS-WO2022/125636,2022,A1Locationinpatent:Page/Pagecolumn84-86