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Home Aminos (E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide

(E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide

CAS No.:
1396841-57-8
Catalog Number:
AG00392D
Molecular Formula:
C21H19FN4O
Molecular Weight:
362.4002
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Product Description
Catalog Number:
AG00392D
Chemical Name:
(E)-N-(2-amino-4-fluorophenyl)-3-(1-cinnamyl-1H-pyrazol-4-yl)acrylamide
CAS Number:
1396841-57-8
Molecular Formula:
C21H19FN4O
Molecular Weight:
362.4002
MDL Number:
MFCD26960954
IUPAC Name:
(E)-N-(2-amino-4-fluorophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide
InChI:
InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+
InChI Key:
BLVQHYHDYFTPDV-VCABWLAWSA-N
SMILES:
O=C(Nc1ccc(cc1N)F)/C=C/c1cnn(c1)CC=Cc1ccccc1
Properties
Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
362.154g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
362.408g/mol
Monoisotopic Mass:
362.154g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
HDAC3-selective inhibitor enhances extinction of cocaine-seeking behavior in a persistent manner. Proceedings of the National Academy of Sciences of the United States of America 20130212
Properties