4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide

C11H8F2N4O3 — CID 115630128

IUPAC4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
SMILESCc1cn[nH]c1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H8F2N4O3/c1-5-4-14-16-10(5)15-11(18)6-2-7(12)8(13)3-9(6)17(19)20/h2-4H,1H3,(H2,14,15,16,18)
InChIKeyNIUDDEMEXRWINW-UHFFFAOYSA-N
MW282.21 g/mol
LogP2.16
Rot. Bonds3

About 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide

4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide (PubChem CID 115630128) has the molecular formula C11H8F2N4O3 and a molecular weight of 282.21 g/mol. Its IUPAC name is 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
PubChem CID115630128
Molecular FormulaC11H8F2N4O3
Molecular Weight282.21 g/mol
Exact Mass282.06
IUPAC Name4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
SMILESCc1cn[nH]c1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H8F2N4O3/c1-5-4-14-16-10(5)15-11(18)6-2-7(12)8(13)3-9(6)17(19)20/h2-4H,1H3,(H2,14,15,16,18)
InChIKeyNIUDDEMEXRWINW-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'}

Analyze 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115629952
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 112691335
2-bromo-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 104620185
4,5-difluoro-N-(5-fluoro-2-pyridinyl)-2-nitrobenzamide
CID 63235900
2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 104620167
2-chloro-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 112691406
N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 81311633
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691255
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
N-(4-methyl-1H-pyrazol-5-yl)-5-nitrothiophene-2-carboxamide
CID 112691284
2,5-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
CID 104699302

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide?
The IUPAC name of 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide (CID 115630128) is 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide.
What is the SMILES notation for 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide?
The canonical SMILES for 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide is Cc1cn[nH]c1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide?
The InChIKey is NIUDDEMEXRWINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O3/c1-5-4-14-16-10(5)15-11(18)6-2-7(12)8(13)3-9(6)17(19)20/h2-4H,1H3,(H2,14,15,16,18).
What are the key properties of 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide?
4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide 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 4,5-difluoro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide is sourced from PubChem (CID 115630128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).