Home Other Building Blocks 3-CHLORO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-AMINE

3-CHLORO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-AMINE

CAS No.:
161038-63-7
Catalog Number:
AG01DVRS
Molecular Formula:
C5H5ClF3N3
Molecular Weight:
199.5615
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Product Description
Catalog Number:
AG01DVRS
Chemical Name:
3-CHLORO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-AMINE
CAS Number:
161038-63-7
Molecular Formula:
C5H5ClF3N3
Molecular Weight:
199.5615
MDL Number:
MFCD17267521
IUPAC Name:
3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-amine
InChI:
InChI=1S/C5H5ClF3N3/c1-12-3(5(7,8)9)2(10)4(6)11-12/h10H2,1H3
InChI Key:
SPTSKNNMCVAXPX-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1C(F)(F)F)N)Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.012g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.561g/mol
Monoisotopic Mass:
199.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties