5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile

Modify Date: 2025-08-21 12:19:41

5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile Structure
5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile structure
Common Name 5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile
CAS Number 5394-41-2 Molecular Weight 229.19500
Density 1.51g/cm3 Boiling Point 492.3ºC at 760mmHg
Molecular Formula C10H7N5O2 Melting Point 191-193ºC
MSDS N/A Flash Point 251.5ºC

 Names

Name 5-amino-1-(4-nitrophenyl)pyrazole-4-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.51g/cm3
Boiling Point 492.3ºC at 760mmHg
Melting Point 191-193ºC
Molecular Formula C10H7N5O2
Molecular Weight 229.19500
Flash Point 251.5ºC
Exact Mass 229.06000
PSA 113.45000
LogP 2.33878
Index of Refraction 1.725
InChIKey OAPYCPXMCXWPHI-UHFFFAOYSA-N
SMILES N#Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1N

 Safety Information

Hazard Codes Xi
HS Code 2933199090

 Synthetic Route

~88%

5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile Structure

5-Amino-1-(4-ni...

CAS#:5394-41-2

Literature: BAYER PHARMA AKTIENGESELLSCHAFT; HEISLER, Iring; MÜLLER, Thomas; GOLZ, Stefan; TELSER, Joachim; REHWINKEL, Hartmut; SIEBENEICHER, Holger; BUCHMANN, Bernd; ZORN, Ludwig; EIS, Knut; KOPPITZ, Marcus; LINDNER, Niels; HÉROULT, Mélanie; NEUHAUS, Roland Patent: WO2013/182612 A1, 2013 ; Location in patent: Page/Page column 146 ;

~70%

5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile Structure

5-Amino-1-(4-ni...

CAS#:5394-41-2

Literature: Dos Santos, Mauricio S.; Gomes, Adriana O.; Bernardino, Alice M. R.; De Souza, Marcos C.; Khan, Misbahul A.; De Brito, Monique A.; Castro, Helena C.; Abreu, Paula A.; Rodrigues, Carlos R.; De Leo, Rosa M. M.; Leon, Leonor L.; Canto-Cavalheirr, Marilene M. Journal of the Brazilian Chemical Society, 2011 , vol. 22, # 2 p. 352 - 358

~%

5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile Structure

5-Amino-1-(4-ni...

CAS#:5394-41-2

Literature: Journal of Medicinal Chemistry, , vol. 34, # 9 p. 2892 - 2898

~%

5-Amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile Structure

5-Amino-1-(4-ni...

CAS#:5394-41-2

Literature: Journal of Medicinal Chemistry, , vol. 34, # 9 p. 2892 - 2898

 Customs

HS Code 2933199090
Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

MFCD00052885
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