3-Bromo-4-methylpyrazole - CAS 5932-20-7
Catalog: |
BB030341 |
Product Name: |
3-Bromo-4-methylpyrazole |
CAS: |
5932-20-7 |
Synonyms: |
5-bromo-4-methyl-1H-pyrazole; 5-bromo-4-methyl-1H-pyrazole |
IUPAC Name: | 5-bromo-4-methyl-1H-pyrazole |
Description: | 3-Bromo-4-methylpyrazole (CAS# 5932-20-7) is a useful research chemical. |
Molecular Weight: | 161.00 |
Molecular Formula: | C4H5BrN2 |
Canonical SMILES: | CC1=C(NN=C1)Br |
InChI: | InChI=1S/C4H5BrN2/c1-3-2-6-7-4(3)5/h2H,1H3,(H,6,7) |
InChI Key: | NIKFLRLLYKEJJK-UHFFFAOYSA-N |
LogP: | 1.48060 |
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-2020127685-A1 | Amino-acid anilides as small molecule modulators of il-17 | 20181219 |
TW-202039473-A | Small molecule modulators of il-17 | 20181219 |
CN-113164448-A | Amino acid anilines as small molecule modulators of IL-17 | 20181219 |
EP-3897623-A1 | Amino-acid anilides as small molecule modulators of il-17 | 20181219 |
KR-20210108416-A | Amino acid anilides as small molecule modulators of IL-17 | 20181219 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Pyrazoles
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