N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H8F2N4O3 — CID 81311633

IUPACN-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H8F2N4O3/c1-5-7(4-14-16-5)11(18)15-10-8(13)2-6(12)3-9(10)17(19)20/h2-4H,1H3,(H,14,16)(H,15,18)
InChIKeyJLVSGBKCUSLAEA-UHFFFAOYSA-N
MW282.21 g/mol
LogP2.16
Rot. Bonds3

About N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 81311633) has the molecular formula C11H8F2N4O3 and a molecular weight of 282.21 g/mol. Its IUPAC name is N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID81311633
Molecular FormulaC11H8F2N4O3
Molecular Weight282.21 g/mol
Exact Mass282.06
IUPAC NameN-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H8F2N4O3/c1-5-7(4-14-16-5)11(18)15-10-8(13)2-6(12)3-9(10)17(19)20/h2-4H,1H3,(H,14,16)(H,15,18)
InChIKeyJLVSGBKCUSLAEA-UHFFFAOYSA-N
XLogP2.16
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83088170
N-(2,4-difluoro-6-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066591
2,5-dibromo-N-(2,4-difluoro-6-nitrophenyl)thiophene-3-carboxamide
CID 107962301
N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61068685
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115630128
6-bromo-N-(2,4-difluoro-6-nitrophenyl)pyridine-3-carboxamide
CID 81306494
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2-amino-N-(2,4-difluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309738
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
4-amino-N-(2,4-difluoro-6-nitrophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 81310187

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 81311633) is N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is JLVSGBKCUSLAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O3/c1-5-7(4-14-16-5)11(18)15-10-8(13)2-6(12)3-9(10)17(19)20/h2-4H,1H3,(H,14,16)(H,15,18).
What are the key properties of N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 282.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 81311633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).