5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide

C15H11BrFN3O2 — CID 39854070

IUPAC5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Br)o2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11BrFN3O2/c1-9-8-14(18-15(21)12-6-7-13(16)22-12)20(19-9)11-4-2-10(17)3-5-11/h2-8H,1H3,(H,18,21)
InChIKeyFRRIQOGUTGMOQF-UHFFFAOYSA-N
MW364.17 g/mol
LogP3.93
Rot. Bonds3

About 5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide

5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide (PubChem CID 39854070) has the molecular formula C15H11BrFN3O2 and a molecular weight of 364.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide
PubChem CID39854070
Molecular FormulaC15H11BrFN3O2
Molecular Weight364.17 g/mol
Exact Mass363.00
IUPAC Name5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Br)o2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11BrFN3O2/c1-9-8-14(18-15(21)12-6-7-13(16)22-12)20(19-9)11-4-2-10(17)3-5-11/h2-8H,1H3,(H,18,21)
InChIKeyFRRIQOGUTGMOQF-UHFFFAOYSA-N
XLogP3.93
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide (CID 39854070) is 5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(Br)o2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The InChIKey is FRRIQOGUTGMOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O2/c1-9-8-14(18-15(21)12-6-7-13(16)22-12)20(19-9)11-4-2-10(17)3-5-11/h2-8H,1H3,(H,18,21).
What are the key properties of 5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide has a molecular weight of 364.17 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 39854070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).