Home Other Building Blocks [1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methanamine

[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methanamine

CAS No.:
1354704-35-0
Catalog Number:
AG01AOO0
Molecular Formula:
C6H8F3N3
Molecular Weight:
179.1430
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Product Description
Catalog Number:
AG01AOO0
Chemical Name:
[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methanamine
CAS Number:
1354704-35-0
Molecular Formula:
C6H8F3N3
Molecular Weight:
179.1430
MDL Number:
MFCD22398283
IUPAC Name:
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
InChI:
InChI=1S/C6H8F3N3/c1-12-5(6(7,8)9)2-4(3-10)11-12/h2H,3,10H2,1H3
InChI Key:
IQMWXLQPKICYKP-UHFFFAOYSA-N
SMILES:
NCc1nn(c(c1)C(F)(F)F)C
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.067g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.146g/mol
Monoisotopic Mass:
179.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties