N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H11F3N4O3 — CID 87024919

IUPACN-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C9H11F3N4O3/c1-2-14(6-9(10,11)12)8(17)5-15-4-3-7(13-15)16(18)19/h3-4H,2,5-6H2,1H3
InChIKeyFMHZJPFKAIALLQ-UHFFFAOYSA-N
MW280.21 g/mol
LogP1.20
Rot. Bonds5

About N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 87024919) has the molecular formula C9H11F3N4O3 and a molecular weight of 280.21 g/mol. Its IUPAC name is N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID87024919
Molecular FormulaC9H11F3N4O3
Molecular Weight280.21 g/mol
Exact Mass280.08
IUPAC NameN-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C9H11F3N4O3/c1-2-14(6-9(10,11)12)8(17)5-15-4-3-7(13-15)16(18)19/h3-4H,2,5-6H2,1H3
InChIKeyFMHZJPFKAIALLQ-UHFFFAOYSA-N
XLogP1.20
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide 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-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 87024919) is N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FMHZJPFKAIALLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O3/c1-2-14(6-9(10,11)12)8(17)5-15-4-3-7(13-15)16(18)19/h3-4H,2,5-6H2,1H3.
What are the key properties of N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 280.21 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 87024919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).