N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide

C22H17BrN4O3 — CID 55873667

IUPACN-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C22H17BrN4O3/c1-14-11-20(27(26-14)18-8-3-6-16(23)13-18)25-21(28)15-5-2-7-17(12-15)24-22(29)19-9-4-10-30-19/h2-13H,1H3,(H,24,29)(H,25,28)
InChIKeyGLZFLNNRKKDZNE-UHFFFAOYSA-N
MW465.31 g/mol
LogP5.04
Rot. Bonds5

About N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide

N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55873667) has the molecular formula C22H17BrN4O3 and a molecular weight of 465.31 g/mol. Its IUPAC name is N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55873667
Molecular FormulaC22H17BrN4O3
Molecular Weight465.31 g/mol
Exact Mass464.05
IUPAC NameN-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C22H17BrN4O3/c1-14-11-20(27(26-14)18-8-3-6-16(23)13-18)25-21(28)15-5-2-7-17(12-15)24-22(29)19-9-4-10-30-19/h2-13H,1H3,(H,24,29)(H,25,28)
InChIKeyGLZFLNNRKKDZNE-UHFFFAOYSA-N
XLogP5.04
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.31
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43068263
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
CID 55643391
N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 71906453
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 17341622
N-[3-[(3-ethenylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 891471
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 120642444
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide (CID 55873667) is N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide is Cc1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)n(-c2cccc(Br)c2)n1.
What is the InChIKey of N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is GLZFLNNRKKDZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O3/c1-14-11-20(27(26-14)18-8-3-6-16(23)13-18)25-21(28)15-5-2-7-17(12-15)24-22(29)19-9-4-10-30-19/h2-13H,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 465.31 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55873667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).