3-Ethyl-1,4-dimethyl-1H-pyrazol-5-amine - CAS 21018-62-2
Catalog: |
BB016539 |
Product Name: |
3-Ethyl-1,4-dimethyl-1H-pyrazol-5-amine |
CAS: |
21018-62-2 |
Synonyms: |
5-ethyl-2,4-dimethylpyrazol-3-amine |
IUPAC Name: | 5-ethyl-2,4-dimethylpyrazol-3-amine |
Description: | 3-Ethyl-1,4-dimethyl-1H-pyrazol-5-amine (CAS# 21018-62-2) is a useful research chemical. |
Molecular Weight: | 139.20 |
Molecular Formula: | C7H13N3 |
Canonical SMILES: | CCC1=NN(C(=C1C)N)C |
InChI: | InChI=1S/C7H13N3/c1-4-6-5(2)7(8)10(3)9-6/h4,8H2,1-3H3 |
InChI Key: | IIMVUQKZPSYYBD-UHFFFAOYSA-N |
Boiling Point: | 268.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.1 g/cm3 |
MDL: | MFCD02245567 |
LogP: | 1.45430 |
Publication Number | Title | Priority Date |
AU-2015222887-B2 | 9H-pyrimido[4,5-b]indoles and related analogs as BET bromodomain inhibitors | 20140228 |
EP-3110818-A1 | 9h-pyrimido[4,5-b]indoles and related analogs as bet bromodomain inhibitors | 20140228 |
EP-3110818-B1 | 9h-pyrimido[4,5-b]indoles and related analogs as bet bromodomain inhibitors | 20140228 |
JP-2017511801-A | 9H-pyrimido [4,5-b] indoles and related analogs as BET bromodomain inhibitors | 20140228 |
US-10253044-B2 | 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors | 20140228 |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.110947427 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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