4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide

C19H18N4O5 — CID 31907819

IUPAC4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cccn3)cc2)cc1OC
InChIInChI=1S/C19H18N4O5/c1-3-28-18-12-16(23(25)26)15(11-17(18)27-2)19(24)21-13-5-7-14(8-6-13)22-10-4-9-20-22/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyNUMYXHMDIXLNTJ-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.44
Rot. Bonds7

About 4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide

4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide (PubChem CID 31907819) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide
PubChem CID31907819
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cccn3)cc2)cc1OC
InChIInChI=1S/C19H18N4O5/c1-3-28-18-12-16(23(25)26)15(11-17(18)27-2)19(24)21-13-5-7-14(8-6-13)22-10-4-9-20-22/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyNUMYXHMDIXLNTJ-UHFFFAOYSA-N
XLogP3.44
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(4-pyrazol-1-ylphenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 40765016
5-ethoxy-4-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 42122425
N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659
4-ethoxy-5-methoxy-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9255470
4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide
CID 31920662
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55566481
N-[6-(dimethylamino)-3-pyridinyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 30295546
4-ethoxy-5-methoxy-2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34584460
4-ethoxy-N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-methoxy-2-nitrobenzamide
CID 25392093
N-(3-acetamido-4-methylphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55746807
N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 34136931
N-(4-acetamido-3-chlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 41305442

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide?
The IUPAC name of 4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide (CID 31907819) is 4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide.
What is the SMILES notation for 4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide?
The canonical SMILES for 4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide is CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cccn3)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide?
The InChIKey is NUMYXHMDIXLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-3-28-18-12-16(23(25)26)15(11-17(18)27-2)19(24)21-13-5-7-14(8-6-13)22-10-4-9-20-22/h4-12H,3H2,1-2H3,(H,21,24).
What are the key properties of 4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide?
4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide has a molecular weight of 382.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide is sourced from PubChem (CID 31907819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).