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

C13H14N4O4 — CID 104783753

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide
SMILESCCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)n[nH]1
InChIInChI=1S/C13H14N4O4/c1-3-8-6-12(16-15-8)14-13(18)10-5-4-9(17(19)20)7-11(10)21-2/h4-7H,3H2,1-2H3,(H2,14,15,16,18)
InChIKeyUYZQKTVHEYJAOS-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.14
Rot. Bonds5

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

N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide (PubChem CID 104783753) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide
PubChem CID104783753
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide
SMILESCCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)n[nH]1
InChIInChI=1S/C13H14N4O4/c1-3-8-6-12(16-15-8)14-13(18)10-5-4-9(17(19)20)7-11(10)21-2/h4-7H,3H2,1-2H3,(H2,14,15,16,18)
InChIKeyUYZQKTVHEYJAOS-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

2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 63818883
N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115609335
N-(6-bromo-3-pyridinyl)-2-methoxy-4-nitrobenzamide
CID 106509645
N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-5-nitrobenzamide
CID 47429735
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 115640654
N,2-dimethoxy-4-nitrobenzamide
CID 44632214
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104783674
N-(1-cyanopropyl)-2-methoxy-4-nitrobenzamide
CID 104783373
N-(5-ethyl-1H-pyrazol-3-yl)-2-hydroxy-5-methoxybenzamide
CID 112687144
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
N-(2-bromoethyl)-2-methoxy-4-nitrobenzamide
CID 104783551

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide (CID 104783753) is N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide is CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2OC)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide?
The InChIKey is UYZQKTVHEYJAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-3-8-6-12(16-15-8)14-13(18)10-5-4-9(17(19)20)7-11(10)21-2/h4-7H,3H2,1-2H3,(H2,14,15,16,18).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-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-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide is sourced from PubChem (CID 104783753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).