2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide

C12H10BrClN4O4 — CID 1082048

IUPAC2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H10BrClN4O4/c1-6-11(13)12(18(21)22)16-17(6)5-10(20)15-8-4-7(14)2-3-9(8)19/h2-4,19H,5H2,1H3,(H,15,20)
InChIKeyGVQZMFQVGXLVFT-UHFFFAOYSA-N
MW389.59 g/mol
LogP2.86
Rot. Bonds4

About 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide

2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide (PubChem CID 1082048) has the molecular formula C12H10BrClN4O4 and a molecular weight of 389.59 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
PubChem CID1082048
Molecular FormulaC12H10BrClN4O4
Molecular Weight389.59 g/mol
Exact Mass387.96
IUPAC Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H10BrClN4O4/c1-6-11(13)12(18(21)22)16-17(6)5-10(20)15-8-4-7(14)2-3-9(8)19/h2-4,19H,5H2,1H3,(H,15,20)
InChIKeyGVQZMFQVGXLVFT-UHFFFAOYSA-N
XLogP2.86
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide 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

N-(5-Chloro-2-hydroxyphenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-YL)acetamide
CID 749076
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 749086
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 1082041
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-chloro-2-methoxyphenyl)acetamide
CID 1417720
N-(5-bromo-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 2237444
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 3106235
N-(5-chloro-2-hydroxyphenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 5054320
N-(5-chloro-2-hydroxyphenyl)-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 7311364
N-(5-chloro-2-hydroxyphenyl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
CID 15994704
N-(5-bromo-2-hydroxyphenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
CID 15994705
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1113675
N-(5-chloro-2-hydroxyphenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516487

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide (CID 1082048) is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide is Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide?
The InChIKey is GVQZMFQVGXLVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4O4/c1-6-11(13)12(18(21)22)16-17(6)5-10(20)15-8-4-7(14)2-3-9(8)19/h2-4,19H,5H2,1H3,(H,15,20).
What are the key properties of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide?
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide has a molecular weight of 389.59 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 1082048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).