5-Amino-1-(4-bromophenyl)-3-phenyl-1H-pyrazole - CAS 72411-50-8
Catalog: |
BB034615 |
Product Name: |
5-Amino-1-(4-bromophenyl)-3-phenyl-1H-pyrazole |
CAS: |
72411-50-8 |
Synonyms: |
2-(4-bromophenyl)-5-phenylpyrazol-3-amine |
IUPAC Name: | 2-(4-bromophenyl)-5-phenylpyrazol-3-amine |
Description: | 5-Amino-1-(4-bromophenyl)-3-phenyl-1H-pyrazole (CAS# 72411-50-8) is a useful research chemical compound. |
Molecular Weight: | 314.18 |
Molecular Formula: | C15H12BrN3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)Br |
InChI: | InChI=1S/C15H12BrN3/c16-12-6-8-13(9-7-12)19-15(17)10-14(18-19)11-4-2-1-3-5-11/h1-10H,17H2 |
InChI Key: | QCTCKFIPUHVCIW-UHFFFAOYSA-N |
Appearance: | Pale crystalline powder |
MDL: | MFCD04122799 |
LogP: | 4.46520 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112300157-A | Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof | 20201116 |
CN-112300157-B | Novel pyrazolopyridine compound with anti-tumor activity and preparation method thereof | 20201116 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.02146 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.02146 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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