2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide

C16H19N5O6 — CID 6868572

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)c(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(OC)c1
InChIInChI=1S/C16H19N5O6/c1-10-5-15(21(23)24)19-20(10)9-16(22)18-17-8-12-13(26-3)6-11(25-2)7-14(12)27-4/h5-8H,9H2,1-4H3,(H,18,22)/b17-8+
InChIKeyHURQGXMJQGODFZ-CAOOACKPSA-N
MW377.36 g/mol
LogP1.28
Rot. Bonds8

About 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide

2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 6868572) has the molecular formula C16H19N5O6 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID6868572
Molecular FormulaC16H19N5O6
Molecular Weight377.36 g/mol
Exact Mass377.13
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)c(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(OC)c1
InChIInChI=1S/C16H19N5O6/c1-10-5-15(21(23)24)19-20(10)9-16(22)18-17-8-12-13(26-3)6-11(25-2)7-14(12)27-4/h5-8H,9H2,1-4H3,(H,18,22)/b17-8+
InChIKeyHURQGXMJQGODFZ-CAOOACKPSA-N
XLogP1.28
TPSA130.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide (CID 6868572) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(OC)c(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(OC)c1.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is HURQGXMJQGODFZ-CAOOACKPSA-N. The full InChI is InChI=1S/C16H19N5O6/c1-10-5-15(21(23)24)19-20(10)9-16(22)18-17-8-12-13(26-3)6-11(25-2)7-14(12)27-4/h5-8H,9H2,1-4H3,(H,18,22)/b17-8+.
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 377.36 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6868572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).