2-(5-Amino-1-tert-butyl-4-cyano)methoxyphenyl - CAS 1797987-02-0
Catalog: |
BB074960 |
Product Name: |
2-(5-Amino-1-tert-butyl-4-cyano)methoxyphenyl |
CAS: |
1797987-02-0 |
Synonyms: |
5-Amino-1-tert-butyl-3-(2-methoxyphenyl)pyrazole-4-carbonitrile; 2-(5-Amino-1-tert-butyl-4-cyano)methoxyphenyl |
IUPAC Name: | 5-amino-1-tert-butyl-3-(2-methoxyphenyl)pyrazole-4-carbonitrile |
Molecular Weight: | 270.33 |
Molecular Formula: | C15H18N4O |
Canonical SMILES: | CC(C)(C)N1C(=C(C(=N1)C2=CC=CC=C2OC)C#N)N |
InChI: | InChI=1S/C15H18N4O/c1-15(2,3)19-14(17)11(9-16)13(18-19)10-7-5-6-8-12(10)20-4/h5-8H,17H2,1-4H3 |
InChI Key: | PKTLMHYPHDOCHY-UHFFFAOYSA-N |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.14806121 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.14806121 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 76.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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