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Home > Imidazoles > 176692-62-9
176692-62-9 | 1H-Pyrazol-5-ol, 1-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-3-phenyl-
CAS No: 176692-62-9 Catalog No: AG0024TE MDL No:
Product Description
Catalog Number:
AG0024TE
Chemical Name:
1H-Pyrazol-5-ol, 1-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-3-phenyl-
CAS Number:
176692-62-9
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
IUPAC Name:
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-5-phenyl-1H-pyrazol-3-one
InChI:
InChI=1S/C13H14N4O/c1-9-11(10-5-3-2-4-6-10)16-17(12(9)18)13-14-7-8-15-13/h2-6,16H,7-8H2,1H3,(H,14,15)
InChI Key:
XSEXQMKNKLIOHQ-UHFFFAOYSA-N
SMILES:
Cc1c(nn(c1O)C1=NCCN1)c1ccccc1
NSC Number:
683379
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.282g/mol
Monoisotopic Mass:
242.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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