Home Other Building Blocks 1-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-5-amine hydrochloride

1-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-5-amine hydrochloride

CAS No.:
1052539-34-0
Catalog Number:
AG019OV8
Molecular Formula:
C11H11ClF3N3
Molecular Weight:
277.6733
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Product Description
Catalog Number:
AG019OV8
Chemical Name:
1-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-5-amine hydrochloride
CAS Number:
1052539-34-0
Molecular Formula:
C11H11ClF3N3
Molecular Weight:
277.6733
MDL Number:
MFCD07689444
IUPAC Name:
2-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-amine;hydrochloride
InChI:
InChI=1S/C11H10F3N3.ClH/c12-11(13,14)9-3-1-8(2-4-9)7-17-10(15)5-6-16-17;/h1-6H,7,15H2;1H
InChI Key:
DMWAWTWXQSMKCW-UHFFFAOYSA-N
SMILES:
Nc1ccnn1Cc1ccc(cc1)C(F)(F)F.Cl
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.059g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.675g/mol
Monoisotopic Mass:
277.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties