5-Amino-3-(3-nitrophenyl)pyrazole - CAS 142338-69-0
Catalog: |
BB009359 |
Product Name: |
5-Amino-3-(3-nitrophenyl)pyrazole |
CAS: |
142338-69-0 |
Synonyms: |
5-(3-nitrophenyl)-1H-pyrazol-3-amine; 5-(3-nitrophenyl)-1H-pyrazol-3-amine |
IUPAC Name: | 5-(3-nitrophenyl)-1H-pyrazol-3-amine |
Description: | 5-Amino-3-(3-nitrophenyl)pyrazole (CAS# 142338-69-0) is a useful research chemical. |
Molecular Weight: | 204.19 |
Molecular Formula: | C9H8N4O2 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=NN2)N |
InChI: | InChI=1S/C9H8N4O2/c10-9-5-8(11-12-9)6-2-1-3-7(4-6)13(14)15/h1-5H,(H3,10,11,12) |
InChI Key: | TWOZXWGNMBEDKH-UHFFFAOYSA-N |
MDL: | MFCD05261908 |
LogP: | 2.67150 |
Publication Number | Title | Priority Date |
TW-I434834-B | Pyrazole compound and thiazole compound as protein kinase inhibitors, pharmaceutical compositions thereof and uses thereof | 20110304 |
EP-2318363-A1 | Heterocyclic derivatives as iap binding compounds | 20080616 |
WO-2009152824-A1 | Heterocyclic derivatives as iap binding compounds | 20080616 |
EP-1778718-A1 | Inhibitors of iap | 20040702 |
WO-2006014361-A1 | Inhibitors of iap | 20040702 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.06472551 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.06472551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Amines and Anilines
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