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168824-10-0 | 1H-Pyrazole, 3,5-diethyl-1-(phenylmethyl)-
CAS No: 168824-10-0 Catalog No: AG001YBF MDL No:
Product Description
Catalog Number:
AG001YBF
Chemical Name:
1H-Pyrazole, 3,5-diethyl-1-(phenylmethyl)-
CAS Number:
168824-10-0
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
IUPAC Name:
1-benzyl-3,5-diethylpyrazole
InChI:
InChI=1S/C14H18N2/c1-3-13-10-14(4-2)16(15-13)11-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChI Key:
BDSIJPICWXHXST-UHFFFAOYSA-N
SMILES:
CCc1cc(nn1Cc1ccccc1)CC
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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