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Home > Pyridines > 1422133-05-8
1422133-05-8 | (2-(pyridin-4-ylmethyl)-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methanol
CAS No: 1422133-05-8 Catalog No: AG01DHHU MDL No:
Product Description
Catalog Number:
AG01DHHU
Chemical Name:
(2-(pyridin-4-ylmethyl)-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methanol
CAS Number:
1422133-05-8
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
[2-(pyridin-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanol
InChI:
InChI=1S/C13H15N3O2/c17-9-12-13-11(3-6-18-12)8-16(15-13)7-10-1-4-14-5-2-10/h1-2,4-5,8,12,17H,3,6-7,9H2
InChI Key:
MMAFWJNTAXZCGN-UHFFFAOYSA-N
SMILES:
OCC1OCCc2c1nn(c2)Cc1ccncc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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