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83672-18-8 | 1H-Pyrazol-3-amine, 4,5-dihydro-1-(3-quinolinyl)-
CAS No: 83672-18-8 Catalog No: AG004TKP MDL No:
Product Description
Catalog Number:
AG004TKP
Chemical Name:
1H-Pyrazol-3-amine, 4,5-dihydro-1-(3-quinolinyl)-
CAS Number:
83672-18-8
Molecular Formula:
C12H12N4
Molecular Weight:
212.2505
IUPAC Name:
2-quinolin-3-yl-3,4-dihydropyrazol-5-amine
InChI:
InChI=1S/C12H12N4/c13-12-5-6-16(15-12)10-7-9-3-1-2-4-11(9)14-8-10/h1-4,7-8H,5-6H2,(H2,13,15)
InChI Key:
ALZTWBMTTUZXCJ-UHFFFAOYSA-N
SMILES:
NC1=NN(CC1)c1cnc2c(c1)cccc2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.256g/mol
Monoisotopic Mass:
212.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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