[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate

C23H26N2O4 — CID 1061666

IUPAC[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
SMILESCCCc1cc(OC(=O)c2ccc(OC)cc2OC)n(-c2ccc(C)cc2C)n1
InChIInChI=1S/C23H26N2O4/c1-6-7-17-13-22(25(24-17)20-11-8-15(2)12-16(20)3)29-23(26)19-10-9-18(27-4)14-21(19)28-5/h8-14H,6-7H2,1-5H3
InChIKeyHWGWRSCTNZUPJM-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.68
Rot. Bonds7

About [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate

[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate (PubChem CID 1061666) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
PubChem CID1061666
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
SMILESCCCc1cc(OC(=O)c2ccc(OC)cc2OC)n(-c2ccc(C)cc2C)n1
InChIInChI=1S/C23H26N2O4/c1-6-7-17-13-22(25(24-17)20-11-8-15(2)12-16(20)3)29-23(26)19-10-9-18(27-4)14-21(19)28-5/h8-14H,6-7H2,1-5H3
InChIKeyHWGWRSCTNZUPJM-UHFFFAOYSA-N
XLogP4.68
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
CID 42727021
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate
CID 770801
[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 2,4-dimethoxybenzoate
CID 42727348
[1-(2,4-dimethylphenyl)-3-(methoxymethyl)pyrazol-5-yl] 4-tert-butylbenzoate
CID 42727298
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-fluorobenzoate
CID 42727372
3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide
CID 4694065
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-hexylbenzoate
CID 3573735
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 2,2-diphenylacetate
CID 3896349
[2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 4-fluorobenzoate
CID 42727250
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 1056426
N-tert-butyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 4303586

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate?
The IUPAC name of [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate (CID 1061666) is [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate?
The canonical SMILES for [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate is CCCc1cc(OC(=O)c2ccc(OC)cc2OC)n(-c2ccc(C)cc2C)n1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate?
The InChIKey is HWGWRSCTNZUPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-6-7-17-13-22(25(24-17)20-11-8-15(2)12-16(20)3)29-23(26)19-10-9-18(27-4)14-21(19)28-5/h8-14H,6-7H2,1-5H3.
What are the key properties of [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate?
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate has a molecular weight of 394.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 1061666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).