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ethyl 1-tert-butyl-5-cyano-1H-pyrazole-4-carboxylate

ethyl 1-tert-butyl-5-cyano-1H-pyrazole-4-carboxylate structure

CAS No:
98477-12-4
Formula:
C11H15N3O2
Chemical Name:
ethyl 1-tert-butyl-5-cyano-1H-pyrazole-4-carboxylate
Synonyms:
Ethyl 1-(tert-butyl)-5-cyano-1H-pyrazole-4-carboxylate;1H-Pyrazole-4-carboxylic acid, 5-cyano-1-(1,1-dimethylethyl)-, ethyl ester;Ethyl 5-cyano-1-(1,1-dimethylethyl)-1H-pyrazole-4-carboxylate;ethyl 1-tert-butyl-5-cyanopyrazole-4-carboxylate;ethyl 1-tert-butyl-5-cyano-1H-pyrazole-4-carboxylate;DTXSID5073743;SCHEMBL10550773;CTK5H9885;ZINC5858397;AKOS015908864

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ethyl 1-tert-butyl-5-cyano-1H-pyrazole-4-carboxylate Basic Attributes

Molecular Weight：

221.2557

Exact Mass：

221.11600

DSSTox ID：

DTXSID5073743

HScode：

2933199090

Characteristics

PSA：

67.9

XLogP3：

1.68648

Density：

1.11g/cm3

Boiling Point：

362℃

Flash Point：

173℃

Refractive Index：

1.531

Computed Properties

Molecular Weight:221.26
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:221.116426730
Monoisotopic Mass:221.116426730
Topological Polar Surface Area:67.9
Heavy Atom Count:16
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 1-tert-butyl-5-cyano-1H-pyrazole-4-carboxylate

Basic Attributes
Characteristics
Computed Properties
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ethyl 1-tert-butyl-5-cyano-1H-pyrazole-4-carboxylate

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