4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide

C14H16N4O5 — CID 31920662

IUPAC4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(C)c2)cc1OC
InChIInChI=1S/C14H16N4O5/c1-4-23-13-6-11(18(20)21)10(5-12(13)22-3)14(19)16-9-7-15-17(2)8-9/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyZMMFYDPNGONMHH-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.99
Rot. Bonds6

About 4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide

4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide (PubChem CID 31920662) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide
PubChem CID31920662
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(C)c2)cc1OC
InChIInChI=1S/C14H16N4O5/c1-4-23-13-6-11(18(20)21)10(5-12(13)22-3)14(19)16-9-7-15-17(2)8-9/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyZMMFYDPNGONMHH-UHFFFAOYSA-N
XLogP1.99
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.99
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

N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659
N-[6-(dimethylamino)-3-pyridinyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 30295546
4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31907819
5-ethoxy-4-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 42122425
N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 34136931
4-ethoxy-5-methoxy-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9255470
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
N-(3-acetamido-4-methylphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55746807
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55566481
N-(4-acetamido-3-chlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 41305442
5-ethoxy-4-methoxy-N-(3-methylsulfonylphenyl)-2-nitrobenzamide
CID 26975903
N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 34051188

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide?
The IUPAC name of 4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide (CID 31920662) is 4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide?
The canonical SMILES for 4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide is CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnn(C)c2)cc1OC.
What is the InChIKey of 4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide?
The InChIKey is ZMMFYDPNGONMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-4-23-13-6-11(18(20)21)10(5-12(13)22-3)14(19)16-9-7-15-17(2)8-9/h5-8H,4H2,1-3H3,(H,16,19).
What are the key properties of 4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide?
4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide has a molecular weight of 320.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide is sourced from PubChem (CID 31920662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).