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Home > Pyridines > 140397-85-9
140397-85-9 | 1H-Pyrazol-5-ol, 3-(4-methoxyphenyl)-1-(2-pyridinyl)-
CAS No: 140397-85-9 Catalog No: AG00HVUT MDL No:MFCD13248765
Product Description
Catalog Number:
AG00HVUT
Chemical Name:
1H-Pyrazol-5-ol, 3-(4-methoxyphenyl)-1-(2-pyridinyl)-
CAS Number:
140397-85-9
Molecular Formula:
C15H13N3O2
Molecular Weight:
267.2826
MDL Number:
MFCD13248765
IUPAC Name:
5-(4-methoxyphenyl)-2-pyridin-2-yl-1H-pyrazol-3-one
InChI:
InChI=1S/C15H13N3O2/c1-20-12-7-5-11(6-8-12)13-10-15(19)18(17-13)14-4-2-3-9-16-14/h2-10,17H,1H3
InChI Key:
OUIRWMVIPWWDQN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nn(c(c1)O)c1ccccn1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.288g/mol
Monoisotopic Mass:
267.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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