[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate

C21H22N2O4 — CID 42727344

IUPAC[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate
SMILESCCc1cc(OC(=O)c2cc(OC)cc(OC)c2)n(-c2ccccc2C)n1
InChIInChI=1S/C21H22N2O4/c1-5-16-12-20(23(22-16)19-9-7-6-8-14(19)2)27-21(24)15-10-17(25-3)13-18(11-15)26-4/h6-13H,5H2,1-4H3
InChIKeyAALHARSPUODTNP-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.98
Rot. Bonds6

About [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate

[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate (PubChem CID 42727344) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate
PubChem CID42727344
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate
SMILESCCc1cc(OC(=O)c2cc(OC)cc(OC)c2)n(-c2ccccc2C)n1
InChIInChI=1S/C21H22N2O4/c1-5-16-12-20(23(22-16)19-9-7-6-8-14(19)2)27-21(24)15-10-17(25-3)13-18(11-15)26-4/h6-13H,5H2,1-4H3
InChIKeyAALHARSPUODTNP-UHFFFAOYSA-N
XLogP3.98
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate 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

[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate
CID 42727348
[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 1,3-benzodioxole-5-carboxylate
CID 42727349
[1-(2,3-dimethylphenyl)-3-ethylpyrazol-5-yl] naphthalene-2-carboxylate
CID 42726908
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-fluorobenzoate
CID 42727372
[1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
CID 1061772
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-hexylbenzoate
CID 3573735
[1-(3,4-dichlorophenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
CID 42728247
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
CID 770808
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 2,2-diphenylacetate
CID 3896349
[1-(2-methylphenyl)-3-propan-2-ylpyrazol-5-yl] 4-fluorobenzoate
CID 42727351
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate
CID 770801
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
CID 1061666

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate?
The IUPAC name of [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate (CID 42727344) is [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate?
The canonical SMILES for [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate is CCc1cc(OC(=O)c2cc(OC)cc(OC)c2)n(-c2ccccc2C)n1.
What is the InChIKey of [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate?
The InChIKey is AALHARSPUODTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-5-16-12-20(23(22-16)19-9-7-6-8-14(19)2)27-21(24)15-10-17(25-3)13-18(11-15)26-4/h6-13H,5H2,1-4H3.
What are the key properties of [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate?
[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate has a molecular weight of 366.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 42727344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).