N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C24H20FN3O4 — CID 55663154

IUPACN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(NCCc1cc(F)cc2c1OCOC2)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C24H20FN3O4/c25-18-11-16(23-17(12-18)14-30-15-32-23)8-9-26-24(29)21-13-20(22-7-4-10-31-22)27-28(21)19-5-2-1-3-6-19/h1-7,10-13H,8-9,14-15H2,(H,26,29)
InChIKeyIPMUPYXEQMEULU-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 55663154) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID55663154
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC NameN-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(NCCc1cc(F)cc2c1OCOC2)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C24H20FN3O4/c25-18-11-16(23-17(12-18)14-30-15-32-23)8-9-26-24(29)21-13-20(22-7-4-10-31-22)27-28(21)19-5-2-1-3-6-19/h1-7,10-13H,8-9,14-15H2,(H,26,29)
InChIKeyIPMUPYXEQMEULU-UHFFFAOYSA-N
XLogP4.11
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55665889
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42762271
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893
3-(furan-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 18270649
3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide
CID 55720293
N-[(2R)-2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 95782218
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 60513199
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 49067429
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053539
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 51120020

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 55663154) is N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is O=C(NCCc1cc(F)cc2c1OCOC2)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is IPMUPYXEQMEULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c25-18-11-16(23-17(12-18)14-30-15-32-23)8-9-26-24(29)21-13-20(22-7-4-10-31-22)27-28(21)19-5-2-1-3-6-19/h1-7,10-13H,8-9,14-15H2,(H,26,29).
What are the key properties of N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 55663154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).