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

C21H16N4O4 — CID 17341622

IUPACN-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NC1=NN(c2ccccc2)C(=O)C1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H16N4O4/c26-19-13-18(24-25(19)16-8-2-1-3-9-16)23-20(27)14-6-4-7-15(12-14)22-21(28)17-10-5-11-29-17/h1-12H,13H2,(H,22,28)(H,23,24,27)
InChIKeyZKWMABQRZFFNMJ-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.01
Rot. Bonds4

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

N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 17341622) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID17341622
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC NameN-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NC1=NN(c2ccccc2)C(=O)C1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H16N4O4/c26-19-13-18(24-25(19)16-8-2-1-3-9-16)23-20(27)14-6-4-7-15(12-14)22-21(28)17-10-5-11-29-17/h1-12H,13H2,(H,22,28)(H,23,24,27)
InChIKeyZKWMABQRZFFNMJ-UHFFFAOYSA-N
XLogP3.01
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913175
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
CID 4086322
5-bromo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)furan-2-carboxamide
CID 3891588
N-[3-[(3-ethenylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 891471
N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171
N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55873667
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
CID 17172382

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide (CID 17341622) is N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide is O=C(NC1=NN(c2ccccc2)C(=O)C1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ZKWMABQRZFFNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c26-19-13-18(24-25(19)16-8-2-1-3-9-16)23-20(27)14-6-4-7-15(12-14)22-21(28)17-10-5-11-29-17/h1-12H,13H2,(H,22,28)(H,23,24,27).
What are the key properties of N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 388.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17341622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).