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Home > Indoles and Oxindole > 736949-28-3
736949-28-3 | 3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CAS No: 736949-28-3 Catalog No: AG019JLY MDL No:MFCD04638810
Product Description
Catalog Number:
AG019JLY
Chemical Name:
3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CAS Number:
736949-28-3
Molecular Formula:
C18H17N3O2
Molecular Weight:
307.3465
MDL Number:
MFCD04638810
IUPAC Name:
3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
InChI:
InChI=1S/C18H17N3O2/c1-23-12-8-6-11(7-9-12)16-18(22)17(21-20-16)14-10-19-15-5-3-2-4-13(14)15/h2-10,16,18-20,22H,1H3
InChI Key:
UKXRUPOIAKFFCM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1NN=C(C1O)c1c[nH]c2c1cccc2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
307.353g/mol
Monoisotopic Mass:
307.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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