5-Amino-1-tert-butyl-3-(3-methylbenzyl)-4-cyanopyrazole - CAS 1185162-28-0
Catalog: |
BB074961 |
Product Name: |
5-Amino-1-tert-butyl-3-(3-methylbenzyl)-4-cyanopyrazole |
CAS: |
1185162-28-0 |
Synonyms: |
5-Amino-1-(1,1-Dimethylethyl)-3-[(3-methylphenyl)methyl]-1H-pyrazole-4-carbonitrile |
IUPAC Name: | 5-amino-1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazole-4-carbonitrile |
Description: | 5-Amino-1-tert-butyl-3-(3-methylbenzyl)-4-cyanopyrazole (cas# 1185162-28-0) is a compound useful in organic synthesis. |
Molecular Weight: | 268.36 |
Molecular Formula: | C16H20N4 |
Canonical SMILES: | CC1=CC(=CC=C1)CC2=NN(C(=C2C#N)N)C(C)(C)C |
InChI: | InChI=1S/C16H20N4/c1-11-6-5-7-12(8-11)9-14-13(10-17)15(18)20(19-14)16(2,3)4/h5-8H,9,18H2,1-4H3 |
InChI Key: | QMVSXFKVXNGFAZ-UHFFFAOYSA-N |
Melting Point: | 76-77°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White Solid |
Storage: | -20°C |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.16879665 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.16879665 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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