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87642-29-3 | 1H-Pyrazolo[4,3-c]pyridine, 4,5,6,7-tetrahydro-3-phenyl-
CAS No: 87642-29-3 Catalog No: AG00IEPI MDL No:MFCD07403541
Product Description
Catalog Number:
AG00IEPI
Chemical Name:
1H-Pyrazolo[4,3-c]pyridine, 4,5,6,7-tetrahydro-3-phenyl-
CAS Number:
87642-29-3
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD07403541
IUPAC Name:
3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
InChI:
InChI=1S/C12H13N3/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12/h1-5,13H,6-8H2,(H,14,15)
InChI Key:
TZFHJMGEXWVRKQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1n[nH]c2c1CNCC2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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