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944782-87-0 | 1-(1H-benzimidazol-2-yl)-4-ethyl-3-methyl-1H-pyrazol-5-ol
CAS No: 944782-87-0 Catalog No: AG018WSA MDL No:
Product Description
Catalog Number:
AG018WSA
Chemical Name:
1-(1H-benzimidazol-2-yl)-4-ethyl-3-methyl-1H-pyrazol-5-ol
CAS Number:
944782-87-0
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
IUPAC Name:
2-(1H-benzimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrazol-3-one
InChI:
InChI=1S/C13H14N4O/c1-3-9-8(2)16-17(12(9)18)13-14-10-6-4-5-7-11(10)15-13/h4-7,16H,3H2,1-2H3,(H,14,15)
InChI Key:
CYHVECGLZNVEKT-UHFFFAOYSA-N
SMILES:
CCc1c(C)nn(c1O)c1nc2c([nH]1)cccc2
Properties
Complexity:
393
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:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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