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

C12H11BrN4O4 — CID 19529549

IUPAC2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccccc1O
InChIInChI=1S/C12H11BrN4O4/c1-7-11(13)12(17(20)21)15-16(7)6-10(19)14-8-4-2-3-5-9(8)18/h2-5,18H,6H2,1H3,(H,14,19)
InChIKeyZGPZBLPDTSSNOB-UHFFFAOYSA-N
MW355.15 g/mol
LogP2.21
Rot. Bonds4

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

2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide (PubChem CID 19529549) has the molecular formula C12H11BrN4O4 and a molecular weight of 355.15 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide
PubChem CID19529549
Molecular FormulaC12H11BrN4O4
Molecular Weight355.15 g/mol
Exact Mass354.00
IUPAC Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccccc1O
InChIInChI=1S/C12H11BrN4O4/c1-7-11(13)12(17(20)21)15-16(7)6-10(19)14-8-4-2-3-5-9(8)18/h2-5,18H,6H2,1H3,(H,14,19)
InChIKeyZGPZBLPDTSSNOB-UHFFFAOYSA-N
XLogP2.21
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 52.21
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide (CID 19529549) is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide is Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccccc1O.
What is the InChIKey of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide?
The InChIKey is ZGPZBLPDTSSNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O4/c1-7-11(13)12(17(20)21)15-16(7)6-10(19)14-8-4-2-3-5-9(8)18/h2-5,18H,6H2,1H3,(H,14,19).
What are the key properties of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide?
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2-hydroxyphenyl)acetamide has a molecular weight of 355.15 g/mol, XLogP of 2.21, 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-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 19529549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).