4-Amino-1-ethyl-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one - CAS 114682-26-7
Catalog: |
BB074325 |
Product Name: |
4-Amino-1-ethyl-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one |
CAS: |
114682-26-7 |
Synonyms: |
4-amino-1-ethyl-5-methyl-2-phenylpyrazol-3-one; 3H-Pyrazol-3-one, 4-amino-1-ethyl-1,2-dihydro-5-methyl-2-phenyl-; 4-Amino-1-ethyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one; 1-Ethyl-2-phenyl-4-amino-5-methyl-1H-pyrazole-3(2H)-one |
IUPAC Name: | 4-amino-1-ethyl-5-methyl-2-phenylpyrazol-3-one |
Molecular Weight: | 217.27 |
Molecular Formula: | C12H15N3O |
Canonical SMILES: | CCN1C(=C(C(=O)N1C2=CC=CC=C2)N)C |
InChI: | InChI=1S/C12H15N3O/c1-3-14-9(2)11(13)12(16)15(14)10-7-5-4-6-8-10/h4-8H,3,13H2,1-2H3 |
InChI Key: | JCCNUBZAROJBQI-UHFFFAOYSA-N |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.12151211 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.12151211 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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