N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide

C18H15FN4O4 — CID 47027812

IUPACN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C18H15FN4O4/c1-11-9-17(22(21-11)14-6-4-3-5-13(14)19)20-18(24)12-7-8-16(27-2)15(10-12)23(25)26/h3-10H,1-2H3,(H,20,24)
InChIKeyTYYAUAUFHHEERZ-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.49
Rot. Bonds5

About N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide (PubChem CID 47027812) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide
PubChem CID47027812
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C18H15FN4O4/c1-11-9-17(22(21-11)14-6-4-3-5-13(14)19)20-18(24)12-7-8-16(27-2)15(10-12)23(25)26/h3-10H,1-2H3,(H,20,24)
InChIKeyTYYAUAUFHHEERZ-UHFFFAOYSA-N
XLogP3.49
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 19285871
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide
CID 47027818
methyl 5-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]carbamoyl]furan-3-carboxylate
CID 75477756
N-(2,5-dimethylpyrazol-3-yl)-3-fluoro-4-nitrobenzamide
CID 62680904
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 99453843
N-(2-benzyl-5-methylpyrazol-3-yl)-4-ethoxy-3-nitrobenzamide
CID 51112941
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
1-(2-fluorophenyl)-5-methyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyrazole-4-carboxamide
CID 55520788
3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide
CID 43018544
4-methoxy-3-nitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095350
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 19285650
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide (CID 47027812) is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide?
The InChIKey is TYYAUAUFHHEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c1-11-9-17(22(21-11)14-6-4-3-5-13(14)19)20-18(24)12-7-8-16(27-2)15(10-12)23(25)26/h3-10H,1-2H3,(H,20,24).
What are the key properties of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide?
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide has a molecular weight of 370.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 47027812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).