N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide

C17H20N4O4 — CID 78772045

IUPACN-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C17H20N4O4/c22-17(12-25-15-8-6-14(7-9-15)21(23)24)19-16-10-11-18-20(16)13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H,19,22)
InChIKeyLTVYNUGCOAHWBM-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.31
Rot. Bonds6

About N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide

N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide (PubChem CID 78772045) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide
PubChem CID78772045
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C17H20N4O4/c22-17(12-25-15-8-6-14(7-9-15)21(23)24)19-16-10-11-18-20(16)13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H,19,22)
InChIKeyLTVYNUGCOAHWBM-UHFFFAOYSA-N
XLogP3.31
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.31
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 N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide 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

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7980188
2-(4-chloro-3-methylphenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 38905946
2-(3-chlorophenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 35142597
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598589
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 51145877
methyl 3-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-5-nitrobenzoate
CID 51145863
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194150
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(2-cyclohexylpyrazol-3-yl)-2-(2-methylimidazol-1-yl)acetamide
CID 46997255
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 9406845
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide (CID 78772045) is N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccnn1C1CCCCC1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is LTVYNUGCOAHWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-17(12-25-15-8-6-14(7-9-15)21(23)24)19-16-10-11-18-20(16)13-4-2-1-3-5-13/h6-11,13H,1-5,12H2,(H,19,22).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide?
N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 78772045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).