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

C16H13FN4O4 — CID 5116013

IUPACN-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
InChIInChI=1S/C16H13FN4O4/c17-12-3-1-11(2-4-12)7-18-16(22)15-6-5-14(25-15)10-20-9-13(8-19-20)21(23)24/h1-6,8-9H,7,10H2,(H,18,22)
InChIKeyIWZJMRMUCXWPCZ-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.50
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 5116013) has the molecular formula C16H13FN4O4 and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID5116013
Molecular FormulaC16H13FN4O4
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
InChIInChI=1S/C16H13FN4O4/c17-12-3-1-11(2-4-12)7-18-16(22)15-6-5-14(25-15)10-20-9-13(8-19-20)21(23)24/h1-6,8-9H,7,10H2,(H,18,22)
InChIKeyIWZJMRMUCXWPCZ-UHFFFAOYSA-N
XLogP2.50
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.50
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide (CID 5116013) is N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is IWZJMRMUCXWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4/c17-12-3-1-11(2-4-12)7-18-16(22)15-6-5-14(25-15)10-20-9-13(8-19-20)21(23)24/h1-6,8-9H,7,10H2,(H,18,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 5116013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).