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89566-96-1 | 1H-Pyrazole, 1-acetyl-4,5-dihydro-3-(4-pyridinyl)-5-(2-thienyl)-
CAS No: 89566-96-1 Catalog No: AG003Y3I MDL No:
Product Description
Catalog Number:
AG003Y3I
Chemical Name:
1H-Pyrazole, 1-acetyl-4,5-dihydro-3-(4-pyridinyl)-5-(2-thienyl)-
CAS Number:
89566-96-1
Molecular Formula:
C14H13N3OS
Molecular Weight:
271.3375
IUPAC Name:
1-(5-pyridin-4-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone
InChI:
InChI=1S/C14H13N3OS/c1-10(18)17-13(14-3-2-8-19-14)9-12(16-17)11-4-6-15-7-5-11/h2-8,13H,9H2,1H3
InChI Key:
VRWBTZPPSYGRKN-UHFFFAOYSA-N
SMILES:
CC(=O)N1N=C(CC1c1cccs1)c1ccncc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.338g/mol
Monoisotopic Mass:
271.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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