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

C12H12N4O4 — CID 19521203

IUPACN-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccccc1O
InChIInChI=1S/C12H12N4O4/c1-8-6-11(16(19)20)14-15(8)7-12(18)13-9-4-2-3-5-10(9)17/h2-6,17H,7H2,1H3,(H,13,18)
InChIKeyXWXGNUVMURZQNH-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.44
Rot. Bonds4

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

N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 19521203) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID19521203
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC NameN-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccccc1O
InChIInChI=1S/C12H12N4O4/c1-8-6-11(16(19)20)14-15(8)7-12(18)13-9-4-2-3-5-10(9)17/h2-6,17H,7H2,1H3,(H,13,18)
InChIKeyXWXGNUVMURZQNH-UHFFFAOYSA-N
XLogP1.44
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.44
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 N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 19521203) is N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is XWXGNUVMURZQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-8-6-11(16(19)20)14-15(8)7-12(18)13-9-4-2-3-5-10(9)17/h2-6,17H,7H2,1H3,(H,13,18).
What are the key properties of N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 276.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).