Home Other Building Blocks [3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanamine

[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanamine

CAS No.:
2098056-10-9
Catalog Number:
AG01EJNN
Molecular Formula:
C6H9F2N3
Molecular Weight:
161.1526
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Product Description
Catalog Number:
AG01EJNN
Chemical Name:
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanamine
CAS Number:
2098056-10-9
Molecular Formula:
C6H9F2N3
Molecular Weight:
161.1526
MDL Number:
MFCD31617212
IUPAC Name:
[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanamine
InChI:
InChI=1S/C6H9F2N3/c1-11-3-4(2-9)5(10-11)6(7)8/h3,6H,2,9H2,1H3
InChI Key:
WDKKGZNYJVJZSJ-UHFFFAOYSA-N
SMILES:
NCc1cn(nc1C(F)F)C
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.076g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.156g/mol
Monoisotopic Mass:
161.076g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties