N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide

C11H8F2N4O3 — CID 1259583

IUPACN-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(F)ccc1F
InChIInChI=1S/C11H8F2N4O3/c12-7-1-2-8(13)9(5-7)14-11(18)6-16-4-3-10(15-16)17(19)20/h1-5H,6H2,(H,14,18)
InChIKeyYRUJUWXXJIBMAW-UHFFFAOYSA-N
MW282.21 g/mol
LogP1.71
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide

N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 1259583) has the molecular formula C11H8F2N4O3 and a molecular weight of 282.21 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID1259583
Molecular FormulaC11H8F2N4O3
Molecular Weight282.21 g/mol
Exact Mass282.06
IUPAC NameN-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(F)ccc1F
InChIInChI=1S/C11H8F2N4O3/c12-7-1-2-8(13)9(5-7)14-11(18)6-16-4-3-10(15-16)17(19)20/h1-5H,6H2,(H,14,18)
InChIKeyYRUJUWXXJIBMAW-UHFFFAOYSA-N
XLogP1.71
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 51.71
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 N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 1259583) is N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is YRUJUWXXJIBMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O3/c12-7-1-2-8(13)9(5-7)14-11(18)6-16-4-3-10(15-16)17(19)20/h1-5H,6H2,(H,14,18).
What are the key properties of N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 282.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1259583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).