N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide

C11H11N5O4 — CID 5423581

IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
SMILESC/C(=N\NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccco1
InChIInChI=1S/C11H11N5O4/c1-8(10-3-2-4-20-10)13-14-11(17)7-15-6-9(5-12-15)16(18)19/h2-6H,7H2,1H3,(H,14,17)/b13-8+
InChIKeyLLDLUEMNMIOLNT-MDWZMJQESA-N
MW277.24 g/mol
LogP0.92
Rot. Bonds5

About N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide

N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 5423581) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID5423581
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
SMILESC/C(=N\NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccco1
InChIInChI=1S/C11H11N5O4/c1-8(10-3-2-4-20-10)13-14-11(17)7-15-6-9(5-12-15)16(18)19/h2-6H,7H2,1H3,(H,14,17)/b13-8+
InChIKeyLLDLUEMNMIOLNT-MDWZMJQESA-N
XLogP0.92
TPSA115.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide (CID 5423581) is N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide is C/C(=N\NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is LLDLUEMNMIOLNT-MDWZMJQESA-N. The full InChI is InChI=1S/C11H11N5O4/c1-8(10-3-2-4-20-10)13-14-11(17)7-15-6-9(5-12-15)16(18)19/h2-6H,7H2,1H3,(H,14,17)/b13-8+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide?
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 277.24 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 5423581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).