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89144-88-7 | 1H-Pyrazole, 4,5-dihydro-3-(4-methoxyphenyl)-1-methyl-5-(thienyl)-
CAS No: 89144-88-7 Catalog No: AG003XIA MDL No:
Product Description
Catalog Number:
AG003XIA
Chemical Name:
1H-Pyrazole, 4,5-dihydro-3-(4-methoxyphenyl)-1-methyl-5-(thienyl)-
CAS Number:
89144-88-7
Molecular Formula:
C15H16N2OS
Molecular Weight:
272.3653
IUPAC Name:
5-(4-methoxyphenyl)-2-methyl-3-thiophen-2-yl-3,4-dihydropyrazole
InChI:
InChI=1S/C15H16N2OS/c1-17-14(15-4-3-9-19-15)10-13(16-17)11-5-7-12(18-2)8-6-11/h3-9,14H,10H2,1-2H3
InChI Key:
JIRUUKCLVQOXCW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NN(C(C1)c1cccs1)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.366g/mol
Monoisotopic Mass:
272.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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