N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide

C12H8F4N4O3 — CID 4766133

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H8F4N4O3/c13-8-2-1-7(12(14,15)16)5-9(8)17-11(21)6-19-4-3-10(18-19)20(22)23/h1-5H,6H2,(H,17,21)
InChIKeyRILADCOGBJOTLM-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.59
Rot. Bonds4

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 4766133) has the molecular formula C12H8F4N4O3 and a molecular weight of 332.21 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID4766133
Molecular FormulaC12H8F4N4O3
Molecular Weight332.21 g/mol
Exact Mass332.05
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H8F4N4O3/c13-8-2-1-7(12(14,15)16)5-9(8)17-11(21)6-19-4-3-10(18-19)20(22)23/h1-5H,6H2,(H,17,21)
InChIKeyRILADCOGBJOTLM-UHFFFAOYSA-N
XLogP2.59
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.59
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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Related Compounds

N-Benzyl-2-(3-nitro-1H-pyrazol-1-YL)acetamide
CID 841686
N-(2,5-difluorophenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259154
N-benzyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259173
2-(5-Methyl-3-nitro-pyrazol-1-yl)-N-(1-phenyl-ethyl)-acetamide
CID 2861112
2-(4-nitro-1H-pyrazol-1-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acetamide
CID 1000185
2-{4-nitro-1H-pyrazol-1-yl}-N-[1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-3-yl]acetamide
CID 1767407
N-(3-chloro-4-methylphenyl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1249600
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-(4-fluorophenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1250431
2-(4-bromo-3-nitro-1H-pyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 2961841
1-[(3-nitro-1H-pyrazol-1-yl)acetyl]indoline
CID 1256836
N-[4-(acetylamino)phenyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1257225

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide (CID 4766133) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is RILADCOGBJOTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N4O3/c13-8-2-1-7(12(14,15)16)5-9(8)17-11(21)6-19-4-3-10(18-19)20(22)23/h1-5H,6H2,(H,17,21).
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 332.21 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 4766133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).