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17605-86-6 | Methanone, (3,5-dimethyl-1H-pyrazol-1-yl)-3-pyridinyl-
CAS No: 17605-86-6 Catalog No: AG0021EB MDL No:
Product Description
Catalog Number:
AG0021EB
Chemical Name:
Methanone, (3,5-dimethyl-1H-pyrazol-1-yl)-3-pyridinyl-
CAS Number:
17605-86-6
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
(3,5-dimethylpyrazol-1-yl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C11H11N3O/c1-8-6-9(2)14(13-8)11(15)10-4-3-5-12-7-10/h3-7H,1-2H3
InChI Key:
NWMWQSWQZUSDIO-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)C(=O)c1cccnc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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