4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide

C13H13N5O6 — CID 19574736

IUPAC4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H13N5O6/c1-24-12-3-2-9(6-11(12)18(22)23)13(19)14-4-5-16-8-10(7-15-16)17(20)21/h2-3,6-8H,4-5H2,1H3,(H,14,19)
InChIKeyYDOXBEJRLIFIBP-UHFFFAOYSA-N
MW335.28 g/mol
LogP1.14
Rot. Bonds7

About 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide

4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide (PubChem CID 19574736) has the molecular formula C13H13N5O6 and a molecular weight of 335.28 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
PubChem CID19574736
Molecular FormulaC13H13N5O6
Molecular Weight335.28 g/mol
Exact Mass335.09
IUPAC Name4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H13N5O6/c1-24-12-3-2-9(6-11(12)18(22)23)13(19)14-4-5-16-8-10(7-15-16)17(20)21/h2-3,6-8H,4-5H2,1H3,(H,14,19)
InChIKeyYDOXBEJRLIFIBP-UHFFFAOYSA-N
XLogP1.14
TPSA142.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide 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-[2-(4-chloropyrazol-1-yl)ethyl]-4-methoxy-3-nitrobenzamide
CID 19283384
3,4-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281829
4-chloro-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281902
N-[3-(4-chloropyrazol-1-yl)propyl]-4-methoxy-3-nitrobenzamide
CID 19330272
N-[2-(4-nitropyrazol-1-yl)ethyl]-4-phenylbenzamide
CID 19281844
3-[(4-ethoxyphenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19574757
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19574729
3-cyano-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281842
N-(6-iodohexyl)-4-methoxy-3-nitrobenzamide
CID 107848390
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
CID 41442755
4-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19329216
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide (CID 19574736) is 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide is COc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide?
The InChIKey is YDOXBEJRLIFIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O6/c1-24-12-3-2-9(6-11(12)18(22)23)13(19)14-4-5-16-8-10(7-15-16)17(20)21/h2-3,6-8H,4-5H2,1H3,(H,14,19).
What are the key properties of 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide?
4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide has a molecular weight of 335.28 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 19574736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).