Home Other Building Blocks 3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole

3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole

CAS No.:
2655-35-8
Catalog Number:
AG01EIF0
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
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Product Description
Catalog Number:
AG01EIF0
Chemical Name:
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CAS Number:
2655-35-8
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD00514538
IUPAC Name:
3,5-dimethyl-1-(2-phenylethyl)pyrazole
InChI:
InChI=1S/C13H16N2/c1-11-10-12(2)15(14-11)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChI Key:
ZYKFIMCOEFWOPW-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)CCc1ccccc1
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties