2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide

C15H17BrN4O3 — CID 2980658

IUPAC2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)C(C)n1nc([N+](=O)[O-])c(Br)c1C
InChIInChI=1S/C15H17BrN4O3/c1-4-11-7-5-6-8-12(11)17-15(21)10(3)19-9(2)13(16)14(18-19)20(22)23/h5-8,10H,4H2,1-3H3,(H,17,21)
InChIKeyGCLJAOAVDHMRTG-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.62
Rot. Bonds5

About 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide

2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide (PubChem CID 2980658) has the molecular formula C15H17BrN4O3 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide
PubChem CID2980658
Molecular FormulaC15H17BrN4O3
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)C(C)n1nc([N+](=O)[O-])c(Br)c1C
InChIInChI=1S/C15H17BrN4O3/c1-4-11-7-5-6-8-12(11)17-15(21)10(3)19-9(2)13(16)14(18-19)20(22)23/h5-8,10H,4H2,1-3H3,(H,17,21)
InChIKeyGCLJAOAVDHMRTG-UHFFFAOYSA-N
XLogP3.62
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
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

(2R)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide
CID 7366781
(2R)-N-(4-acetamidophenyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide
CID 1257990
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 2980840
(2S)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-cyano-4,5-diethoxyphenyl)propanamide
CID 1267241
(2R)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 1259182
(2R)-N-(1H-benzimidazol-2-ylmethyl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)propanamide
CID 7305681
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 19538376
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3-methylpent-1-yn-3-yl)propanamide
CID 3628349
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 2982218
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 1101534
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 19532473
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 19532491

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide (CID 2980658) is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)C(C)n1nc([N+](=O)[O-])c(Br)c1C.
What is the InChIKey of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide?
The InChIKey is GCLJAOAVDHMRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3/c1-4-11-7-5-6-8-12(11)17-15(21)10(3)19-9(2)13(16)14(18-19)20(22)23/h5-8,10H,4H2,1-3H3,(H,17,21).
What are the key properties of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide?
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide has a molecular weight of 381.23 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 2980658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).