Home Halogens N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N,N-dimethylamine

N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N,N-dimethylamine

CAS No.:
1170132-58-7
Catalog Number:
AG008V58
Molecular Formula:
C9H16BrN3
Molecular Weight:
246.1474
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Product Description
Catalog Number:
AG008V58
Chemical Name:
N-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N,N-dimethylamine
CAS Number:
1170132-58-7
Molecular Formula:
C9H16BrN3
Molecular Weight:
246.1474
MDL Number:
MFCD12027156
IUPAC Name:
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,N-dimethylethanamine
InChI:
InChI=1S/C9H16BrN3/c1-7-9(10)8(2)13(11-7)6-5-12(3)4/h5-6H2,1-4H3
InChI Key:
LKVMCOCERDLAHY-UHFFFAOYSA-N
SMILES:
CN(CCn1nc(c(c1C)Br)C)C
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.152g/mol
Monoisotopic Mass:
245.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties