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936949-04-1 | Diisopropyl 3,5-diphenyl-3H-pyrazole-1,2-dicarboxylate
CAS No: 936949-04-1 Catalog No: AG01F84I MDL No:
Product Description
Catalog Number:
AG01F84I
Chemical Name:
Diisopropyl 3,5-diphenyl-3H-pyrazole-1,2-dicarboxylate
CAS Number:
936949-04-1
Molecular Formula:
C23H26N2O4
Molecular Weight:
394.4635
IUPAC Name:
dipropan-2-yl 3,5-diphenyl-3H-pyrazole-1,2-dicarboxylate
InChI:
InChI=1S/C23H26N2O4/c1-16(2)28-22(26)24-20(18-11-7-5-8-12-18)15-21(19-13-9-6-10-14-19)25(24)23(27)29-17(3)4/h5-17,20H,1-4H3
InChI Key:
DJMZHMJGRUCPIW-UHFFFAOYSA-N
SMILES:
CC(OC(=O)N1C(C=C(N1C(=O)OC(C)C)c1ccccc1)c1ccccc1)C
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.189g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.471g/mol
Monoisotopic Mass:
394.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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