5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide

C23H18BrFN4O3 — CID 24551892

IUPAC5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H18BrFN4O3/c24-20-11-10-19(32-20)23(31)27-13-21(30)26-12-16-14-29(18-4-2-1-3-5-18)28-22(16)15-6-8-17(25)9-7-15/h1-11,14H,12-13H2,(H,26,30)(H,27,31)
InChIKeyZCSGESUGSCLHAL-UHFFFAOYSA-N
MW497.32 g/mol
LogP4.08
Rot. Bonds7

About 5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 24551892) has the molecular formula C23H18BrFN4O3 and a molecular weight of 497.32 g/mol. Its IUPAC name is 5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID24551892
Molecular FormulaC23H18BrFN4O3
Molecular Weight497.32 g/mol
Exact Mass496.05
IUPAC Name5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H18BrFN4O3/c24-20-11-10-19(32-20)23(31)27-13-21(30)26-12-16-14-29(18-4-2-1-3-5-18)28-22(16)15-6-8-17(25)9-7-15/h1-11,14H,12-13H2,(H,26,30)(H,27,31)
InChIKeyZCSGESUGSCLHAL-UHFFFAOYSA-N
XLogP4.08
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.32
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889
2-(cyclopropylmethylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide;hydrochloride
CID 119694555
2-ethoxy-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551887
N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 42889854
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 25485657
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
CID 42358565
2-(5-acetyl-2-methoxyphenyl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504119
2-[(4-cyanophenyl)methylsulfonyl]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 55759973
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 24551862
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide (CID 24551892) is 5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ZCSGESUGSCLHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN4O3/c24-20-11-10-19(32-20)23(31)27-13-21(30)26-12-16-14-29(18-4-2-1-3-5-18)28-22(16)15-6-8-17(25)9-7-15/h1-11,14H,12-13H2,(H,26,30)(H,27,31).
What are the key properties of 5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 497.32 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 24551892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).