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94814-11-6 | Pyrazolo[1,5-a]pyrazine-3-carboxaldehyde, 6,7-dimethyl-2-phenyl-
CAS No: 94814-11-6 Catalog No: AG0068EK MDL No:
Product Description
Catalog Number:
AG0068EK
Chemical Name:
Pyrazolo[1,5-a]pyrazine-3-carboxaldehyde, 6,7-dimethyl-2-phenyl-
CAS Number:
94814-11-6
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
6,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrazine-3-carbaldehyde
InChI:
InChI=1S/C15H13N3O/c1-10-11(2)18-14(8-16-10)13(9-19)15(17-18)12-6-4-3-5-7-12/h3-9H,1-2H3
InChI Key:
SZLWQHBJGLTOKU-UHFFFAOYSA-N
SMILES:
O=Cc1c(nn2c1cnc(c2C)C)c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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