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86871-71-8 | 3-(3-(Dimethylamino)propoxy)-4-methyl-5-phenylpyrazole maleate
CAS No: 86871-71-8 Catalog No: AG004ICH MDL No:
Product Description
Catalog Number:
AG004ICH
Chemical Name:
3-(3-(Dimethylamino)propoxy)-4-methyl-5-phenylpyrazole maleate
CAS Number:
86871-71-8
Molecular Formula:
C19H25N3O5
Molecular Weight:
375.4189
IUPAC Name:
but-2-enedioic acid;N,N-dimethyl-3-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
InChI:
InChI=1S/C15H21N3O.C4H4O4/c1-12-14(13-8-5-4-6-9-13)16-17-15(12)19-11-7-10-18(2)3;5-3(6)1-2-4(7)8/h4-6,8-9H,7,10-11H2,1-3H3,(H,16,17);1-2H,(H,5,6)(H,7,8)
InChI Key:
ODZDMNWPNKBIAW-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)O.CN(CCCOc1n[nH]c(c1C)c1ccccc1)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.179g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
375.425g/mol
Monoisotopic Mass:
375.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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