[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate

C21H22N2O4 — CID 42727348

IUPAC[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate
SMILESCCc1cc(OC(=O)c2ccc(OC)cc2OC)n(-c2ccccc2C)n1
InChIInChI=1S/C21H22N2O4/c1-5-15-12-20(23(22-15)18-9-7-6-8-14(18)2)27-21(24)17-11-10-16(25-3)13-19(17)26-4/h6-13H,5H2,1-4H3
InChIKeyUWZNEOXLHOQNSF-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.98
Rot. Bonds6

About [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate

[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate (PubChem CID 42727348) 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] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate
PubChem CID42727348
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate
SMILESCCc1cc(OC(=O)c2ccc(OC)cc2OC)n(-c2ccccc2C)n1
InChIInChI=1S/C21H22N2O4/c1-5-15-12-20(23(22-15)18-9-7-6-8-14(18)2)27-21(24)17-11-10-16(25-3)13-19(17)26-4/h6-13H,5H2,1-4H3
InChIKeyUWZNEOXLHOQNSF-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

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Related Compounds

[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate
CID 42727344
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
CID 1061666
[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
CID 42727021
[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
(2-chlorophenyl) 2,4-dimethoxybenzoate
CID 2366254
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-hexylbenzoate
CID 3573735
N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745726
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 2,2-diphenylacetate
CID 3896349
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride
CID 142773071

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate?
The IUPAC name of [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate (CID 42727348) is [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate?
The canonical SMILES for [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate is CCc1cc(OC(=O)c2ccc(OC)cc2OC)n(-c2ccccc2C)n1.
What is the InChIKey of [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate?
The InChIKey is UWZNEOXLHOQNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-5-15-12-20(23(22-15)18-9-7-6-8-14(18)2)27-21(24)17-11-10-16(25-3)13-19(17)26-4/h6-13H,5H2,1-4H3.
What are the key properties of [3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate?
[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-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] 2,4-dimethoxybenzoate is sourced from PubChem (CID 42727348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).