N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C13H14N4O3 — CID 61068685

IUPACN-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cn[nH]c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3/c1-3-9-4-5-10(6-12(9)17(19)20)15-13(18)11-7-14-16-8(11)2/h4-7H,3H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyIPMXILKSANZIBW-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.44
Rot. Bonds4

About N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 61068685) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID61068685
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cn[nH]c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3/c1-3-9-4-5-10(6-12(9)17(19)20)15-13(18)11-7-14-16-8(11)2/h4-7H,3H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyIPMXILKSANZIBW-UHFFFAOYSA-N
XLogP2.44
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.44
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-(4-ethyl-3-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 86925257
N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998428
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
2-amino-N-(4-ethyl-3-nitrophenyl)-5-fluoro-3-nitrobenzamide
CID 87044502
4-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 60739029
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide
CID 86925249
N-(3-iodo-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63997812
N-(2,4-difluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 81311633
3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 34655216
N-(4-ethyl-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 34653227

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 61068685) is N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide is CCc1ccc(NC(=O)c2cn[nH]c2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is IPMXILKSANZIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-3-9-4-5-10(6-12(9)17(19)20)15-13(18)11-7-14-16-8(11)2/h4-7H,3H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61068685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).