5-Amino-4-bromo-3-methyl-1H-pyrazole - CAS 1780-72-9
Catalog: |
BB013391 |
Product Name: |
5-Amino-4-bromo-3-methyl-1H-pyrazole |
CAS: |
1780-72-9 |
Synonyms: |
4-bromo-5-methyl-1H-pyrazol-3-amine |
IUPAC Name: | 4-bromo-5-methyl-1H-pyrazol-3-amine |
Description: | 5-Amino-4-bromo-3-methyl-1H-pyrazole (CAS# 1780-72-9) is a useful research chemical. |
Molecular Weight: | 176.01 |
Molecular Formula: | C4H6BrN3 |
Canonical SMILES: | CC1=C(C(=NN1)N)Br |
InChI: | InChI=1S/C4H6BrN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8) |
InChI Key: | WZMBDMWFVPKYCF-UHFFFAOYSA-N |
MDL: | MFCD02694956 |
LogP: | 0.99290 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021113263-A1 | Crf receptor antagonists and methods of use | 20191204 |
AU-2017251155-A1 | Pyrazolopyrimidine derivatives | 20160415 |
CA-3020793-A1 | Pyrazolopyrimidine derivatives | 20160415 |
EP-3442974-A1 | Pyrazolopyrimidine derivatives | 20160415 |
JP-2019513776-A | Pyrazolopyrimidine derivatives | 20160415 |
Complexity: | 87.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.97451 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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