N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide

C11H8F2N4O3 — CID 2819094

IUPACN-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-]
InChIInChI=1S/C11H8F2N4O3/c1-16-11(17(19)20)7(5-14-16)10(18)15-9-3-2-6(12)4-8(9)13/h2-5H,1H3,(H,15,18)
InChIKeyJWMDVJJMHZUHBP-UHFFFAOYSA-N
MW282.21 g/mol
LogP1.86
Rot. Bonds3

About N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide

N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide (PubChem CID 2819094) has the molecular formula C11H8F2N4O3 and a molecular weight of 282.21 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide
PubChem CID2819094
Molecular FormulaC11H8F2N4O3
Molecular Weight282.21 g/mol
Exact Mass282.06
IUPAC NameN-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-]
InChIInChI=1S/C11H8F2N4O3/c1-16-11(17(19)20)7(5-14-16)10(18)15-9-3-2-6(12)4-8(9)13/h2-5H,1H3,(H,15,18)
InChIKeyJWMDVJJMHZUHBP-UHFFFAOYSA-N
XLogP1.86
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 51.86
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-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38004934
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
CID 115745847
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
N-(2-fluoro-4-sulfamoylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43134041
4-fluoro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 75502193
N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474180
N-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 9209368
5-[(2,4-difluoroanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630662

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide (CID 2819094) is N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccc(F)cc2F)c1[N+](=O)[O-].
What is the InChIKey of N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide?
The InChIKey is JWMDVJJMHZUHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O3/c1-16-11(17(19)20)7(5-14-16)10(18)15-9-3-2-6(12)4-8(9)13/h2-5H,1H3,(H,15,18).
What are the key properties of N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide?
N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide has a molecular weight of 282.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide is sourced from PubChem (CID 2819094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).