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1000895-53-3 | 1H-Pyrazol-3-amine, 5-[2-(3,5-dimethoxyphenyl)ethyl]-
CAS No: 1000895-53-3 Catalog No: AG0000VX MDL No:MFCD18147843
Product Description
Catalog Number:
AG0000VX
Chemical Name:
1H-Pyrazol-3-amine, 5-[2-(3,5-dimethoxyphenyl)ethyl]-
CAS Number:
1000895-53-3
Molecular Formula:
C13H17N3O2
Molecular Weight:
247.2930
MDL Number:
MFCD18147843
IUPAC Name:
5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine
InChI:
InChI=1S/C13H17N3O2/c1-17-11-5-9(6-12(8-11)18-2)3-4-10-7-13(14)16-15-10/h5-8H,3-4H2,1-2H3,(H3,14,15,16)
InChI Key:
QKEFSZDRDPDTTE-UHFFFAOYSA-N
SMILES:
COc1cc(CCc2[nH]nc(c2)N)cc(c1)OC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.298g/mol
Monoisotopic Mass:
247.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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