N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

C15H11FN4O4 — CID 5002435

IUPACN-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
InChIInChI=1S/C15H11FN4O4/c16-10-2-1-3-11(6-10)18-15(21)14-5-4-13(24-14)9-19-8-12(7-17-19)20(22)23/h1-8H,9H2,(H,18,21)
InChIKeyKANLPVAKTDEWTO-UHFFFAOYSA-N
MW330.28 g/mol
LogP2.82
Rot. Bonds5

About N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 5002435) has the molecular formula C15H11FN4O4 and a molecular weight of 330.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID5002435
Molecular FormulaC15H11FN4O4
Molecular Weight330.28 g/mol
Exact Mass330.08
IUPAC NameN-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
InChIInChI=1S/C15H11FN4O4/c16-10-2-1-3-11(6-10)18-15(21)14-5-4-13(24-14)9-19-8-12(7-17-19)20(22)23/h1-8H,9H2,(H,18,21)
InChIKeyKANLPVAKTDEWTO-UHFFFAOYSA-N
XLogP2.82
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (CID 5002435) is N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1.
What is the InChIKey of N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is KANLPVAKTDEWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O4/c16-10-2-1-3-11(6-10)18-15(21)14-5-4-13(24-14)9-19-8-12(7-17-19)20(22)23/h1-8H,9H2,(H,18,21).
What are the key properties of N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 330.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 5002435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).