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99832-88-9 | methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1h-pyrazole-4-carboxylate
CAS No: 99832-88-9 Catalog No: AG003W7F MDL No:
Product Description
Catalog Number:
AG003W7F
Chemical Name:
methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1h-pyrazole-4-carboxylate
CAS Number:
99832-88-9
Molecular Formula:
C19H18ClN3O3
Molecular Weight:
371.8175
IUPAC Name:
methyl 5-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoyl)-3H-pyrazole-4-carboxylate
InChI:
InChI=1S/C19H18ClN3O3/c1-19(17(24)26-2)12-23(18(25)21-15-6-4-3-5-7-15)22-16(19)13-8-10-14(20)11-9-13/h3-11H,12H2,1-2H3,(H,21,25)
InChI Key:
FRYIMQANZKVQLY-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)CN(N=C1c1ccc(cc1)Cl)C(=O)Nc1ccccc1
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.104g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.821g/mol
Monoisotopic Mass:
371.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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