Home Amines 1000895-53-3
1000895-53-3,MFCD18147843
Catalog No.:AA0000T5
1H-Pyrazol-3-amine, 5-[2-(3,5-dimethoxyphenyl)ethyl]- | 1000895-53-3
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250mg
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Technical Information
Catalog Number:
AA0000T5
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
Computed 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  

Synonyms
 
1000895-53-3 
5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-amine 
QC-93 
BCP19420 
EX-A1713 
7084AC 
MFCD14705758 
ZINC39947593 
AKOS011295076 
AKOS015995519 
MCULE-3374826661 
NE48807 
5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine 
AC-30365 
BS-14103 
4CH-025086 
CS-0061956 
ST24044176 
EN300-59407 
3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-amine 
Z969559750 
1H-Pyrazol-3-amine, 5-[2-(3,5-dimethoxyphenyl)ethyl]- 
C13H17N3O2 
3-(3,5-dimethoxyphenethyl)-1H-pyrazol-5-amine 
5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-amine 
SCHEMBL63547 
AC1Q497J 
CTK6J7709 
DTXSID40677619 
QKEFSZDRDPDTTE-UHFFFAOYSA-N 
Literature
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