2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide

C8H9F3N4O3 — CID 19283151

IUPAC2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)C(F)(F)F
InChIInChI=1S/C8H9F3N4O3/c1-5-4-6(15(17)18)13-14(5)3-2-12-7(16)8(9,10)11/h4H,2-3H2,1H3,(H,12,16)
InChIKeyMCTJZLSVWOGGBB-UHFFFAOYSA-N
MW266.18 g/mol
LogP0.78
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide (PubChem CID 19283151) has the molecular formula C8H9F3N4O3 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
PubChem CID19283151
Molecular FormulaC8H9F3N4O3
Molecular Weight266.18 g/mol
Exact Mass266.06
IUPAC Name2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)C(F)(F)F
InChIInChI=1S/C8H9F3N4O3/c1-5-4-6(15(17)18)13-14(5)3-2-12-7(16)8(9,10)11/h4H,2-3H2,1H3,(H,12,16)
InChIKeyMCTJZLSVWOGGBB-UHFFFAOYSA-N
XLogP0.78
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide (CID 19283151) is 2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The InChIKey is MCTJZLSVWOGGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O3/c1-5-4-6(15(17)18)13-14(5)3-2-12-7(16)8(9,10)11/h4H,2-3H2,1H3,(H,12,16).
What are the key properties of 2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide has a molecular weight of 266.18 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 19283151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).