4-Bromo-3-methyl-1H-pyrazole-5-carboxylic acid - CAS 861382-63-0
Catalog: |
BB037834 |
Product Name: |
4-Bromo-3-methyl-1H-pyrazole-5-carboxylic acid |
CAS: |
861382-63-0 |
Synonyms: |
4-bromo-5-methyl-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 4-bromo-5-methyl-1H-pyrazole-3-carboxylic acid |
Description: | 4-Bromo-3-methyl-1H-pyrazole-5-carboxylic acid (CAS# 861382-63-0 ) is a useful research chemical. |
Molecular Weight: | 205.01 |
Molecular Formula: | C5H5BrN2O2 |
Canonical SMILES: | CC1=C(C(=NN1)C(=O)O)Br |
InChI: | InChI=1S/C5H5BrN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10) |
InChI Key: | XIZPNSLYWMMPNI-UHFFFAOYSA-N |
LogP: | 1.17880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020399278-A1 | Heterocyclic compounds and noxious arthropod control agent containing same | 20171225 |
CN-107001259-B | Substituted azetidine derivatives as TAAR ligands | 20140827 |
EP-3186224-A1 | Substituted azetidine derivatives as taar ligands | 20140827 |
JP-2017526661-A | Substituted azetidine derivatives as TAAR ligands | 20140827 |
JP-6539724-B2 | Substituted azetidine derivatives as TAAR ligands | 20140827 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.95344 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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