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87628-48-6 | 1H-Pyrazolo[4,3-c]pyridine, 3-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-
CAS No: 87628-48-6 Catalog No: AG004LEI MDL No:
Product Description
Catalog Number:
AG004LEI
Chemical Name:
1H-Pyrazolo[4,3-c]pyridine, 3-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-
CAS Number:
87628-48-6
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
IUPAC Name:
3-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
InChI:
InChI=1S/C14H17N3O2/c1-18-12-4-3-9(7-13(12)19-2)14-10-8-15-6-5-11(10)16-17-14/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChI Key:
ACDKBVSYIDXPDC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1n[nH]c2c1CNCC2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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