5-Amino-4-(4-bromophenyl)pyrazole - CAS 57999-08-3
Catalog: |
BB029896 |
Product Name: |
5-Amino-4-(4-bromophenyl)pyrazole |
CAS: |
57999-08-3 |
Synonyms: |
4-(4-bromophenyl)-1H-pyrazol-5-amine |
IUPAC Name: | 4-(4-bromophenyl)-1H-pyrazol-5-amine |
Description: | 5-Amino-4-(4-bromophenyl)pyrazole (CAS# 57999-08-3) is a useful research chemical. |
Molecular Weight: | 238.08 |
Molecular Formula: | C9H8BrN3 |
Canonical SMILES: | C1=CC(=CC=C1C2=C(NN=C2)N)Br |
InChI: | InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13) |
InChI Key: | ABKUXQSVMWMABM-UHFFFAOYSA-N |
MDL: | MFCD03618446 |
LogP: | 2.35150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2012277224-A1 | Heterocyclic compounds for the inhibition of pask | 20110426 |
WO-2012149157-A2 | Heterocyclic compounds for the inhibition of pask | 20110426 |
US-10953012-B2 | Heterocyclic compounds for the inhibition of pask | 20110426 |
WO-2011014520-A2 | Compounds and compositions as modulators of gpr119 activity | 20090729 |
CA-2694218-A1 | Anti-mitotic agent and aurora kinase inhibitor combination as anti-cancer treatment | 20070731 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.99016 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.99016 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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