5-Bromo-1-methyl-1H-pyrazole - CAS 361476-01-9
Catalog: |
BB022881 |
Product Name: |
5-Bromo-1-methyl-1H-pyrazole |
CAS: |
361476-01-9 |
Synonyms: |
5-bromo-1-methylpyrazole; 5-bromo-1-methylpyrazole |
IUPAC Name: | 5-bromo-1-methylpyrazole |
Description: | 5-Bromo-1-methyl-1H-pyrazole (CAS# 361476-01-9) is a useful research chemical. |
Molecular Weight: | 161.00 |
Molecular Formula: | C4H5BrN2 |
Canonical SMILES: | CN1C(=CC=N1)Br |
InChI: | InChI=1S/C4H5BrN2/c1-7-4(5)2-3-6-7/h2-3H,1H3 |
InChI Key: | TZARUEALSRVVHC-UHFFFAOYSA-N |
Boiling Point: | 197.064 ℃ at 760 mmHg |
Density: | 1.693 g/cm3 |
MDL: | MFCD11656572 |
LogP: | 1.18260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, 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-2014221345-A1 | Prmt5 inhibitors and uses thereof | 20121221 |
US-2014329794-A1 | Prmt5 inhibitors and uses thereof | 20121221 |
US-2015191432-A1 | Prmt5 inhibitors and uses thereof | 20121221 |
US-2015252031-A1 | Prmt5 inhibitors and uses thereof | 20121221 |
US-2015344433-A1 | Prmt5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof | 20121221 |
Complexity: | 66.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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