5-Amino-4-(4-bromophenyl)-3-methylpyrazole - CAS 955575-53-8
Catalog: |
BB041761 |
Product Name: |
5-Amino-4-(4-bromophenyl)-3-methylpyrazole |
CAS: |
955575-53-8 |
Synonyms: |
4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine |
IUPAC Name: | 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine |
Description: | 5-Amino-4-(4-bromophenyl)-3-methylpyrazole (CAS# 955575-53-8) is a useful research chemical. |
Molecular Weight: | 252.11 |
Molecular Formula: | C10H10BrN3 |
Canonical SMILES: | CC1=C(C(=NN1)N)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C10H10BrN3/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14) |
InChI Key: | XBGQAVPNQRLZOV-UHFFFAOYSA-N |
MDL: | MFCD09463175 |
LogP: | 3.31100 |
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 |
KR-101693033-B1 | Novel Chlorogenic Acid Derivatives and Composition for Treating Inflammatory Disease Comprising the Same | 20151215 |
KR-20160008125-A | Novel Chlorogenic Acid Derivatives and Composition for Treating Inflammatory Disease Comprising the Same | 20151215 |
AU-2015342021-B2 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
EP-3215505-A1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
EP-3215505-B1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.00581 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.00581 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Pyrazoles
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