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439106-49-7 | 4-(1H-pyrazol-4-yl)quinoline
CAS No: 439106-49-7 Catalog No: AG00DCOD MDL No:MFCD02579321
Product Description
Catalog Number:
AG00DCOD
Chemical Name:
4-(1H-pyrazol-4-yl)quinoline
CAS Number:
439106-49-7
Molecular Formula:
C12H9N3
Molecular Weight:
195.2200
MDL Number:
MFCD02579321
IUPAC Name:
4-(1H-pyrazol-4-yl)quinoline
InChI:
InChI=1S/C12H9N3/c1-2-4-12-11(3-1)10(5-6-13-12)9-7-14-15-8-9/h1-8H,(H,14,15)
InChI Key:
PJKFKLYKZFIEHG-UHFFFAOYSA-N
SMILES:
n1[nH]cc(c1)c1ccnc2c1cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.225g/mol
Monoisotopic Mass:
195.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| 4-(1-Phenyl-1H-pyrazol-4-yl)quinolines as novel, selective and brain penetrant metabotropic glutamate receptor 4 positive allosteric modulators. | Bioorganic & medicinal chemistry letters 20120501 |
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