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88039-34-3 | 1H-Pyrazole, 4-chloro-3-cyclohexyl-1-(4-methylphenyl)-5-phenyl-
CAS No: 88039-34-3 Catalog No: AG004N19 MDL No:
Product Description
Catalog Number:
AG004N19
Chemical Name:
1H-Pyrazole, 4-chloro-3-cyclohexyl-1-(4-methylphenyl)-5-phenyl-
CAS Number:
88039-34-3
Molecular Formula:
C22H23ClN2
Molecular Weight:
350.8844
IUPAC Name:
4-chloro-3-cyclohexyl-1-(4-methylphenyl)-5-phenylpyrazole
InChI:
InChI=1S/C22H23ClN2/c1-16-12-14-19(15-13-16)25-22(18-10-6-3-7-11-18)20(23)21(24-25)17-8-4-2-5-9-17/h3,6-7,10-15,17H,2,4-5,8-9H2,1H3
InChI Key:
OJPNVAPYQSXLIR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1nc(c(c1c1ccccc1)Cl)C1CCCCC1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.155g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.89g/mol
Monoisotopic Mass:
350.155g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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