5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide

C14H10BrN3O3 — CID 3891588

IUPAC5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide
SMILESO=C(NC1=NN(c2ccccc2)C(=O)C1)c1ccc(Br)o1
InChIInChI=1S/C14H10BrN3O3/c15-11-7-6-10(21-11)14(20)16-12-8-13(19)18(17-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17,20)
InChIKeyZTURGPIULKJFTD-UHFFFAOYSA-N
MW348.16 g/mol
LogP2.52
Rot. Bonds2

About 5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide

5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide (PubChem CID 3891588) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is 5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide
PubChem CID3891588
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC Name5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide
SMILESO=C(NC1=NN(c2ccccc2)C(=O)C1)c1ccc(Br)o1
InChIInChI=1S/C14H10BrN3O3/c15-11-7-6-10(21-11)14(20)16-12-8-13(19)18(17-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17,20)
InChIKeyZTURGPIULKJFTD-UHFFFAOYSA-N
XLogP2.52
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
CID 4086322
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2,2-diphenylacetamide
CID 17341544
1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea
CID 131879882
5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 47158335
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 17341539
2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341526
5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide
CID 95234398
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)formamide
CID 131880242
5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
CID 3406026
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ylacetamide
CID 25020981

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide (CID 3891588) is 5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide is O=C(NC1=NN(c2ccccc2)C(=O)C1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide?
The InChIKey is ZTURGPIULKJFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c15-11-7-6-10(21-11)14(20)16-12-8-13(19)18(17-12)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17,20).
What are the key properties of 5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide?
5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide has a molecular weight of 348.16 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 3891588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).