5-Amino-4-cyano-3-(cyanomethyl)pyrazole - CAS 54711-21-6
Catalog: |
BB028794 |
Product Name: |
5-Amino-4-cyano-3-(cyanomethyl)pyrazole |
CAS: |
54711-21-6 |
Synonyms: |
3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile; 3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile |
IUPAC Name: | 3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile |
Description: | 5-Amino-4-cyano-3-(cyanomethyl)pyrazole (CAS# 54711-21-6) is a useful research reagent for the preparation of other aminopyrazole and pyrazolopyridine derivatives with anxiolytic activity for the treatment of anxiety related disorders. |
Molecular Weight: | 147.14 |
Molecular Formula: | C6H5N5 |
Canonical SMILES: | C(C#N)C1=C(C(=NN1)N)C#N |
InChI: | InChI=1S/C6H5N5/c7-2-1-5-4(3-8)6(9)11-10-5/h1H2,(H3,9,10,11) |
InChI Key: | GSXISOIYTHIBLC-UHFFFAOYSA-N |
Boiling Point: | 520.9 °C at 760 mmHg |
Density: | 1.43 g/cm3 |
MDL: | MFCD00022387 |
LogP: | 0.51086 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2013143466-A1 | Substituted pyrimidine derivative as aurora kinase inhibitor | 20120327 |
US-2012238576-A1 | Triazine Derivatives and their Therapeutical Applications | 20090608 |
WO-2010144338-A1 | Triazine derivatives and their therapeutical applications | 20090608 |
US-2010089285-A1 | Colorant compound and ink including the colorant compound | 20081014 |
US-7985288-B2 | Colorant compound and ink including the colorant compound | 20081014 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.05449518 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.05449518 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 102 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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