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Home > Pyridines > 448969-46-8
448969-46-8 | 4-[3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]PYRIDINE
CAS No: 448969-46-8 Catalog No: AG01BU1I MDL No:MFCD18258969
Product Description
Catalog Number:
AG01BU1I
Chemical Name:
4-[3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]PYRIDINE
CAS Number:
448969-46-8
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD18258969
IUPAC Name:
4-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
InChI:
InChI=1S/C11H13N3/c1-8(2)10-7-11(14-13-10)9-3-5-12-6-4-9/h3-8H,1-2H3,(H,13,14)
InChI Key:
LHRQAUKZDXYSQO-UHFFFAOYSA-N
SMILES:
CC(c1cc([nH]n1)c1ccncc1)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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