N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide

C13H14N4O4 — CID 104620300

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cccc([N+](=O)[O-])c1OC
InChIInChI=1S/C13H14N4O4/c1-3-8-7-14-16-12(8)15-13(18)9-5-4-6-10(17(19)20)11(9)21-2/h4-7H,3H2,1-2H3,(H2,14,15,16,18)
InChIKeyURWIOIDCBPRBEJ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.14
Rot. Bonds5

About N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide

N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide (PubChem CID 104620300) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide
PubChem CID104620300
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide
SMILESCCc1cn[nH]c1NC(=O)c1cccc([N+](=O)[O-])c1OC
InChIInChI=1S/C13H14N4O4/c1-3-8-7-14-16-12(8)15-13(18)9-5-4-6-10(17(19)20)11(9)21-2/h4-7H,3H2,1-2H3,(H2,14,15,16,18)
InChIKeyURWIOIDCBPRBEJ-UHFFFAOYSA-N
XLogP2.14
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 104616630
3-amino-2-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 104616592
ethane;2-methoxy-N-methyl-3-nitrobenzamide
CID 143076658
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-3-nitrobenzamide
CID 104981317
2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 104620167
2-bromo-N-(4-methyl-1H-pyrazol-5-yl)-3-nitrobenzamide
CID 104620185
2-methoxy-3-nitrobenzoyl chloride
CID 21406531
(2S)-2-hydroxy-3-[(2-methoxy-3-nitrobenzoyl)amino]propanoic acid
CID 107833599
2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide
CID 103746259
chloroform;methyl 3-[[3-[[2-hydroxy-3-[[2-methoxy-3-[(2-methoxy-3-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]-2-methoxybenzoyl]amino]-2-methoxybenzoate
CID 139183249
N-(4-ethyl-1H-pyrazol-5-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 103738045
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
CID 38112763

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide (CID 104620300) is N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide is CCc1cn[nH]c1NC(=O)c1cccc([N+](=O)[O-])c1OC.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide?
The InChIKey is URWIOIDCBPRBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-3-8-7-14-16-12(8)15-13(18)9-5-4-6-10(17(19)20)11(9)21-2/h4-7H,3H2,1-2H3,(H2,14,15,16,18).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide?
N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide has a molecular weight of 290.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-2-methoxy-3-nitrobenzamide is sourced from PubChem (CID 104620300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).