Home Other Building Blocks 3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine

3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine

CAS No.:
1379377-13-5
Catalog Number:
AG01EJAY
Molecular Formula:
C7H10F3N3
Molecular Weight:
193.1696
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Product Description
Catalog Number:
AG01EJAY
Chemical Name:
3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine
CAS Number:
1379377-13-5
Molecular Formula:
C7H10F3N3
Molecular Weight:
193.1696
MDL Number:
MFCD31412562
IUPAC Name:
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine
InChI:
InChI=1S/C7H10F3N3/c8-7(9,10)6-5(2-1-3-11)4-12-13-6/h4H,1-3,11H2,(H,12,13)
InChI Key:
SMTKABKKVZUBAH-UHFFFAOYSA-N
SMILES:
NCCCc1c[nH]nc1C(F)(F)F
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.083g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.173g/mol
Monoisotopic Mass:
193.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties