5-Bromo-3-isopropyl-1H-pyrazole - CAS 2182631-80-5
Catalog: |
BB017164 |
Product Name: |
5-Bromo-3-isopropyl-1H-pyrazole |
CAS: |
2182631-80-5 |
Synonyms: |
3-bromo-5-propan-2-yl-1H-pyrazole; 3-bromo-5-propan-2-yl-1H-pyrazole |
IUPAC Name: | 3-bromo-5-propan-2-yl-1H-pyrazole |
Description: | 5-Bromo-3-isopropyl-1H-pyrazole (CAS# 2182631-80-5 ) is a useful research chemical. |
Molecular Weight: | 189.05 |
Molecular Formula: | C6H9BrN2 |
Canonical SMILES: | CC(C)C1=CC(=NN1)Br |
InChI: | InChI=1S/C6H9BrN2/c1-4(2)5-3-6(7)9-8-5/h3-4H,1-2H3,(H,8,9) |
InChI Key: | HRAKNNGOXPQTTB-UHFFFAOYSA-N |
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 |
WO-2017133701-A1 | Certain protein kinase inhibitors | 20160206 |
US-2010286147-A1 | Fungicidal amides | 20080125 |
EP-2187748-A2 | Fungicidal compounds and mixtures | 20071023 |
US-2010240619-A1 | Fungicidal mixtures | 20071023 |
WO-2009055514-A2 | Fungicidal compounds and mixtures | 20071023 |
Complexity: | 95.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.99491 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.99491 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Pyrazoles
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