6-Amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile - CAS 1006326-38-0
Catalog: |
BB074837 |
Product Name: |
6-Amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
CAS: |
1006326-38-0 |
Synonyms: |
6-amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; 6-amino-4-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile; 6-Amino-4-(1-ethyl-3-methyl-1h-pyrazol-4-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitril; 6-amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
IUPAC Name: | 6-amino-4-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
Molecular Weight: | 284.32 |
Molecular Formula: | C14H16N6O |
Canonical SMILES: | CCN1C=C(C(=N1)C)C2C(=C(OC3=NNC(=C23)C)N)C#N |
InChI: | InChI=1S/C14H16N6O/c1-4-20-6-10(7(2)19-20)12-9(5-15)13(16)21-14-11(12)8(3)17-18-14/h6,12H,4,16H2,1-3H3,(H,17,18) |
InChI Key: | ZQOFDJPUGZLHGT-UHFFFAOYSA-N |
Complexity: | 497 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.13855916 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.13855916 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 106Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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