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1006463-92-8 | 1H-Pyrazol-5-amine, 1-[(2,4-dimethoxyphenyl)methyl]-
CAS No: 1006463-92-8 Catalog No: AG0002JS MDL No:MFCD07838430
Product Description
Catalog Number:
AG0002JS
Chemical Name:
1H-Pyrazol-5-amine, 1-[(2,4-dimethoxyphenyl)methyl]-
CAS Number:
1006463-92-8
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD07838430
IUPAC Name:
2-[(2,4-dimethoxyphenyl)methyl]pyrazol-3-amine
InChI:
InChI=1S/C12H15N3O2/c1-16-10-4-3-9(11(7-10)17-2)8-15-12(13)5-6-14-15/h3-7H,8,13H2,1-2H3
InChI Key:
KMVDBKQZHBXLDI-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1Cn1nccc1N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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