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778611-16-8 | 3-(tert-Butyl)-1-(4-fluorophenyl)-1H-pyrazol-5-amine
CAS No: 778611-16-8 Catalog No: AG005ER5 MDL No:MFCD04115094
Product Description
Catalog Number:
AG005ER5
Chemical Name:
3-(tert-Butyl)-1-(4-fluorophenyl)-1H-pyrazol-5-amine
CAS Number:
778611-16-8
Molecular Formula:
C13H16FN3
Molecular Weight:
233.2846
MDL Number:
MFCD04115094
IUPAC Name:
5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-amine
InChI:
InChI=1S/C13H16FN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-9(14)5-7-10/h4-8H,15H2,1-3H3
InChI Key:
BYZGQEFEOZXWRO-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1nc(cc1N)C(C)(C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.133g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.29g/mol
Monoisotopic Mass:
233.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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