2-Benzyl-5-(trifluoromethyl)pyrazol-3-amine - CAS 1174306-59-2
Catalog: |
BB003941 |
Product Name: |
2-Benzyl-5-(trifluoromethyl)pyrazol-3-amine |
CAS: |
1174306-59-2 |
Synonyms: |
2-(phenylmethyl)-5-(trifluoromethyl)-3-pyrazolamine; 2-benzyl-5-(trifluoromethyl)pyrazol-3-amine |
IUPAC Name: | 2-benzyl-5-(trifluoromethyl)pyrazol-3-amine |
Description: | 2-Benzyl-5-(trifluoromethyl)pyrazol-3-amine (CAS# 1174306-59-2 ) is a useful research chemical. |
Molecular Weight: | 241.21 |
Molecular Formula: | C11H10F3N3 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C(=CC(=N2)C(F)(F)F)N |
InChI: | InChI=1S/C11H10F3N3/c12-11(13,14)9-6-10(15)17(16-9)7-8-4-2-1-3-5-8/h1-6H,7,15H2 |
InChI Key: | HVBFZQNHPOMFFJ-UHFFFAOYSA-N |
LogP: | 3.11360 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.08268182 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.08268182 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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