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87642-40-8 | 1H-Pyrazolo[4,3-c]pyridine, 1-ethyl-4,5,6,7-tetrahydro-3-(2-thienyl)-
CAS No: 87642-40-8 Catalog No: AG004HJ6 MDL No:MFCD22049428
Product Description
Catalog Number:
AG004HJ6
Chemical Name:
1H-Pyrazolo[4,3-c]pyridine, 1-ethyl-4,5,6,7-tetrahydro-3-(2-thienyl)-
CAS Number:
87642-40-8
Molecular Formula:
C12H15N3S
Molecular Weight:
233.3326
MDL Number:
MFCD22049428
IUPAC Name:
1-ethyl-3-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
InChI:
InChI=1S/C12H15N3S/c1-2-15-10-5-6-13-8-9(10)12(14-15)11-4-3-7-16-11/h3-4,7,13H,2,5-6,8H2,1H3
InChI Key:
VPOAGGTYTZPBSD-UHFFFAOYSA-N
SMILES:
CCn1nc(c2c1CCNC2)c1cccs1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.333g/mol
Monoisotopic Mass:
233.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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