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300839-31-0 | 4-(1-Acetyl-1H-indol-3-yl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
CAS No: 300839-31-0 Catalog No: AG01E430 MDL No:
Product Description
Catalog Number:
AG01E430
Chemical Name:
4-(1-Acetyl-1H-indol-3-yl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
CAS Number:
300839-31-0
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
4-(1-acetylindol-3-yl)-3-methyl-1,4-dihydropyrazol-5-one
InChI:
InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7,13H,1-2H3,(H,16,19)
InChI Key:
LWAAWXPHUVBIOH-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1c1cn(c2c1cccc2)C(=O)C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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