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825616-98-6 | 3-Furancarboxamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-
CAS No: 825616-98-6 Catalog No: AG00540Q MDL No:
Product Description
Catalog Number:
AG00540Q
Chemical Name:
3-Furancarboxamide, N-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-
CAS Number:
825616-98-6
Molecular Formula:
C15H11N5O2
Molecular Weight:
293.2801
IUPAC Name:
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide
InChI:
InChI=1S/C15H11N5O2/c21-15(9-5-6-22-8-9)19-12-7-16-20-13(12)14-17-10-3-1-2-4-11(10)18-14/h1-8H,(H,16,20)(H,17,18)(H,19,21)
InChI Key:
CPSZLNMKHIWPCJ-UHFFFAOYSA-N
SMILES:
O=C(c1cocc1)Nc1c[nH]nc1c1nc2c([nH]1)cccc2
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
293.286g/mol
Monoisotopic Mass:
293.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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