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Home > Indoles and Oxindole > 827316-90-5
827316-90-5 | Piperazine, 1-methyl-4-[[2-(1H-pyrazol-3-yl)-1H-indol-4-yl]carbonyl]-
CAS No: 827316-90-5 Catalog No: AG004V50 MDL No:
Product Description
Catalog Number:
AG004V50
Chemical Name:
Piperazine, 1-methyl-4-[[2-(1H-pyrazol-3-yl)-1H-indol-4-yl]carbonyl]-
CAS Number:
827316-90-5
Molecular Formula:
C17H19N5O
Molecular Weight:
309.3657
IUPAC Name:
(4-methylpiperazin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-4-yl]methanone
InChI:
InChI=1S/C17H19N5O/c1-21-7-9-22(10-8-21)17(23)12-3-2-4-14-13(12)11-16(19-14)15-5-6-18-20-15/h2-6,11,19H,7-10H2,1H3,(H,18,20)
InChI Key:
LKRRINOFPSYSPL-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)c1cccc2c1cc([nH]2)c1n[nH]cc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.373g/mol
Monoisotopic Mass:
309.159g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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