Home Other Building Blocks 2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropan-1-amine hydrochloride

2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropan-1-amine hydrochloride

CAS No.:
1384427-67-1
Catalog Number:
AG019TMX
Molecular Formula:
C14H17ClF3N3
Molecular Weight:
319.7531
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Product Description
Catalog Number:
AG019TMX
Chemical Name:
2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-3,3,3-trifluoropropan-1-amine hydrochloride
CAS Number:
1384427-67-1
Molecular Formula:
C14H17ClF3N3
Molecular Weight:
319.7531
MDL Number:
MFCD22196690
IUPAC Name:
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
InChI:
InChI=1S/C14H16F3N3.ClH/c1-9-13(12(8-18)14(15,16)17)10(2)20(19-9)11-6-4-3-5-7-11;/h3-7,12H,8,18H2,1-2H3;1H
InChI Key:
YHNOQHOQSJQFLV-UHFFFAOYSA-N
SMILES:
NCC(C(F)(F)F)c1c(C)nn(c1C)c1ccccc1.Cl
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.106g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
319.756g/mol
Monoisotopic Mass:
319.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties