5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile - CAS 51516-67-7
Catalog: |
BB027470 |
Product Name: |
5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile |
CAS: |
51516-67-7 |
Synonyms: |
5-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile |
IUPAC Name: | 5-amino-1-(4-chlorophenyl)pyrazole-4-carbonitrile |
Description: | 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile (CAS# 51516-67-7 ) is a useful research chemical. |
Molecular Weight: | 218.64 |
Molecular Formula: | C10H7ClN4 |
Canonical SMILES: | C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)Cl |
InChI: | InChI=1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2 |
InChI Key: | WIWSALMJHPGFDY-UHFFFAOYSA-N |
Boiling Point: | 424.2 °C at 760 mmHg |
Density: | 1.41 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | White to brown powder, crystals crystalline powder and/or chunks |
MDL: | MFCD00052031 |
LogP: | 2.56078 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2019192691-A1 | Regulated biocircuit systems | 20160411 |
WO-2010118367-A2 | Antiviral pyrimidines | 20090410 |
US-2011190285-A1 | Methods of treating a botulinum toxin related condition in a subject | 20080919 |
US-2011034521-A1 | Compounds and methods for treating zinc matrix metalloprotease dependent diseases | 20070928 |
US-7060818-B2 | Synthesis of macrocyclic tetraamido compounds and new metal insertion process | 20030221 |
PMID | Publication Date | Title | Journal |
17692432 | 20080401 | Synthesis of N-aryl-5-amino-4-cyanopyrazole derivatives as potent xanthine oxidase inhibitors | European journal of medicinal chemistry |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.0359239 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.0359239 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Pyrazoles
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