5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide

C14H12ClF3N4O4 — CID 15017284

IUPAC5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide
SMILESCCNC(=O)c1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClF3N4O4/c1-3-19-12(23)8-6-7(4-5-9(8)22(24)25)26-13-10(15)11(14(16,17)18)21(2)20-13/h4-6H,3H2,1-2H3,(H,19,23)
InChIKeySGWILEVRBILQFL-UHFFFAOYSA-N
MW392.72 g/mol
LogP3.54
Rot. Bonds5

About 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide

5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide (PubChem CID 15017284) has the molecular formula C14H12ClF3N4O4 and a molecular weight of 392.72 g/mol. Its IUPAC name is 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide.

Molecular Properties

Compound Name5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide
PubChem CID15017284
Molecular FormulaC14H12ClF3N4O4
Molecular Weight392.72 g/mol
Exact Mass392.05
IUPAC Name5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide
SMILESCCNC(=O)c1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClF3N4O4/c1-3-19-12(23)8-6-7(4-5-9(8)22(24)25)26-13-10(15)11(14(16,17)18)21(2)20-13/h4-6H,3H2,1-2H3,(H,19,23)
InChIKeySGWILEVRBILQFL-UHFFFAOYSA-N
XLogP3.54
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.72
LogP ≤ 53.54
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'}

Analyze 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitrobenzenethiol
CID 150940560
2-[[1-[5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitrophenyl]-2-methoxyethylidene]amino]oxyacetic acid
CID 88616352
[5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitrophenyl]-methylcarbamic acid
CID 22159841
2-[5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-2-nitrophenoxy]-2-methylheptanoic acid
CID 70375033
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
[[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-nitrobenzoyl]amino]methyl-octan-4-yloxyphosphinic acid
CID 88666664
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-(2-sulfanylethyl)benzamide
CID 13259765
sodium 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]amino]ethanesulfonate
CID 88704196
N-methyl-2-nitro-5-(trifluoromethoxy)benzamide
CID 157375550
2-chloro-N-ethyl-4,5-dinitrobenzamide
CID 88924576
2-[2-amino-5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyanilino]propan-1-ol
CID 19775925
methyl 2-[C-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-nitrophenyl]-N-hydroxycarbonimidoyl]oxyacetate
CID 88622919

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide?
The IUPAC name of 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide (CID 15017284) is 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide.
What is the SMILES notation for 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide?
The canonical SMILES for 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide is CCNC(=O)c1cc(Oc2nn(C)c(C(F)(F)F)c2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide?
The InChIKey is SGWILEVRBILQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O4/c1-3-19-12(23)8-6-7(4-5-9(8)22(24)25)26-13-10(15)11(14(16,17)18)21(2)20-13/h4-6H,3H2,1-2H3,(H,19,23).
What are the key properties of 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide?
5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide has a molecular weight of 392.72 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-ethyl-2-nitrobenzamide is sourced from PubChem (CID 15017284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).