N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide

C19H18N4O4 — CID 4865738

IUPACN-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C19H18N4O4/c1-2-27-17-9-7-15(8-10-17)21-19(24)18-6-4-3-5-14(18)12-22-13-16(11-20-22)23(25)26/h3-11,13H,2,12H2,1H3,(H,21,24)
InChIKeyRCBQTVAJMCJDOM-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.49
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide

N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide (PubChem CID 4865738) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide
PubChem CID4865738
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C19H18N4O4/c1-2-27-17-9-7-15(8-10-17)21-19(24)18-6-4-3-5-14(18)12-22-13-16(11-20-22)23(25)26/h3-11,13H,2,12H2,1H3,(H,21,24)
InChIKeyRCBQTVAJMCJDOM-UHFFFAOYSA-N
XLogP3.49
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
1-(4-ethoxyphenyl)-2-(4-nitropyrazol-1-yl)ethanone
CID 60732931
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516042
N-(4-ethoxyphenyl)-3-methyl-2-nitrobenzamide
CID 889390
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
3-[(4-ethoxyphenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19574757
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-(methoxymethyl)benzamide
CID 39089763
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
1-[(2-fluorophenyl)methyl]-4-nitropyrazole
CID 573054
methyl 2-[[4-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19400609
N-(4-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide
CID 170761785
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide (CID 4865738) is N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide is CCOc1ccc(NC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide?
The InChIKey is RCBQTVAJMCJDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-2-27-17-9-7-15(8-10-17)21-19(24)18-6-4-3-5-14(18)12-22-13-16(11-20-22)23(25)26/h3-11,13H,2,12H2,1H3,(H,21,24).
What are the key properties of N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide?
N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide has a molecular weight of 366.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4-nitropyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 4865738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).