N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C15H12N4O5 — CID 19463215

IUPACN-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C15H12N4O5/c20-13-8-10(19(22)23)2-4-12(13)17-15(21)14-5-3-11(24-14)9-18-7-1-6-16-18/h1-8,20H,9H2,(H,17,21)
InChIKeyZNWROHNPAKYSPL-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.39
Rot. Bonds5

About N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 19463215) has the molecular formula C15H12N4O5 and a molecular weight of 328.28 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID19463215
Molecular FormulaC15H12N4O5
Molecular Weight328.28 g/mol
Exact Mass328.08
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C15H12N4O5/c20-13-8-10(19(22)23)2-4-12(13)17-15(21)14-5-3-11(24-14)9-18-7-1-6-16-18/h1-8,20H,9H2,(H,17,21)
InChIKeyZNWROHNPAKYSPL-UHFFFAOYSA-N
XLogP2.39
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463192
N-(2-hydroxy-4-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446067
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463007
5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
CID 19450414
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463175
N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19399657
N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415957
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463115
N-(2-fluoro-5-nitrophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024539
N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19408956
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
CID 19474478
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 35334539

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 19463215) is N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is ZNWROHNPAKYSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5/c20-13-8-10(19(22)23)2-4-12(13)17-15(21)14-5-3-11(24-14)9-18-7-1-6-16-18/h1-8,20H,9H2,(H,17,21).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 328.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19463215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).