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885269-94-3 | 1H-Pyrazole-1-carboxamide,5-(2-furanyl)-4,5-dihydro-3-(2-thienyl)-
CAS No: 885269-94-3 Catalog No: AG00486I MDL No:
Product Description
Catalog Number:
AG00486I
Chemical Name:
1H-Pyrazole-1-carboxamide,5-(2-furanyl)-4,5-dihydro-3-(2-thienyl)-
CAS Number:
885269-94-3
Molecular Formula:
C12H11N3O2S
Molecular Weight:
261.2996
IUPAC Name:
3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazole-2-carboxamide
InChI:
InChI=1S/C12H11N3O2S/c13-12(16)15-9(10-3-1-5-17-10)7-8(14-15)11-4-2-6-18-11/h1-6,9H,7H2,(H2,13,16)
InChI Key:
JFVBYMYGCLQILP-UHFFFAOYSA-N
SMILES:
NC(=O)N1N=C(CC1c1ccco1)c1cccs1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.299g/mol
Monoisotopic Mass:
261.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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