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149246-67-3 | Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 4-ethyl-2-(2-thienyl)-
CAS No: 149246-67-3 Catalog No: AG001LHX MDL No:
Product Description
Catalog Number:
AG001LHX
Chemical Name:
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 4-ethyl-2-(2-thienyl)-
CAS Number:
149246-67-3
Molecular Formula:
C12H11N3OS
Molecular Weight:
245.3002
IUPAC Name:
4-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C12H11N3OS/c1-2-14-6-5-12(16)15-11(14)8-9(13-15)10-4-3-7-17-10/h3-8H,2H2,1H3
InChI Key:
HRRZBYPYLUKEMM-UHFFFAOYSA-N
SMILES:
CCn1ccc(=O)n2c1cc(n2)c1cccs1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.3g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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