N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide

C11H10N4O4 — CID 110467849

IUPACN-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCc1c(NC(=O)C2=NNC(=O)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O4/c1-6-7(3-2-4-9(6)15(18)19)12-11(17)8-5-10(16)14-13-8/h2-4H,5H2,1H3,(H,12,17)(H,14,16)
InChIKeyYFYXYAIXJVCMIM-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.72
Rot. Bonds3

About N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide

N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 110467849) has the molecular formula C11H10N4O4 and a molecular weight of 262.22 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID110467849
Molecular FormulaC11H10N4O4
Molecular Weight262.22 g/mol
Exact Mass262.07
IUPAC NameN-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCc1c(NC(=O)C2=NNC(=O)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O4/c1-6-7(3-2-4-9(6)15(18)19)12-11(17)8-5-10(16)14-13-8/h2-4H,5H2,1H3,(H,12,17)(H,14,16)
InChIKeyYFYXYAIXJVCMIM-UHFFFAOYSA-N
XLogP0.72
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
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

2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240
(2-methyl-3-nitrophenyl)urea
CID 22416531
4-bromo-N-(2-methyl-3-nitrophenyl)-1H-pyrrole-2-carboxamide
CID 18097680
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 17255520
5-bromo-N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 1245199
N-(2,5-dimethyl-4-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103145646
N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
CID 174454415
N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 675560
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 110467849) is N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide is Cc1c(NC(=O)C2=NNC(=O)C2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is YFYXYAIXJVCMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-6-7(3-2-4-9(6)15(18)19)12-11(17)8-5-10(16)14-13-8/h2-4H,5H2,1H3,(H,12,17)(H,14,16).
What are the key properties of N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 262.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110467849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).