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

C22H24N2O4 — CID 1061772

IUPAC[1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
SMILESCCCc1cc(OC(=O)c2cc(OC)cc(OC)c2)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C22H24N2O4/c1-5-6-17-13-21(24(23-17)18-9-7-15(2)8-10-18)28-22(25)16-11-19(26-3)14-20(12-16)27-4/h7-14H,5-6H2,1-4H3
InChIKeyGUHJJNZFTUIVRM-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.37
Rot. Bonds7

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

[1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate (PubChem CID 1061772) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
PubChem CID1061772
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
SMILESCCCc1cc(OC(=O)c2cc(OC)cc(OC)c2)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C22H24N2O4/c1-5-6-17-13-21(24(23-17)18-9-7-15(2)8-10-18)28-22(25)16-11-19(26-3)14-20(12-16)27-4/h7-14H,5-6H2,1-4H3
InChIKeyGUHJJNZFTUIVRM-UHFFFAOYSA-N
XLogP4.37
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3,4-dichlorophenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
CID 42728247
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 4-methylbenzoate
CID 770801
[3-ethyl-1-(2-methylphenyl)pyrazol-5-yl] 3,5-dimethoxybenzoate
CID 42727344
[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 4-ethylbenzoate
CID 42727023
[1-(4-fluorophenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
CID 42727021
[1-(2,4-dimethylphenyl)-3-propylpyrazol-5-yl] 2,4-dimethoxybenzoate
CID 1061666
[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-methylbenzoate
CID 42726686
[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate
CID 42727968
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-fluorobenzoate
CID 42727372
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
CID 770808
[1-(2-methylphenyl)-3-propylpyrazol-5-yl] 4-hexylbenzoate
CID 3573735
[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate
CID 42726698

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate?
The IUPAC name of [1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate (CID 1061772) is [1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate?
The canonical SMILES for [1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate is CCCc1cc(OC(=O)c2cc(OC)cc(OC)c2)n(-c2ccc(C)cc2)n1.
What is the InChIKey of [1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate?
The InChIKey is GUHJJNZFTUIVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-5-6-17-13-21(24(23-17)18-9-7-15(2)8-10-18)28-22(25)16-11-19(26-3)14-20(12-16)27-4/h7-14H,5-6H2,1-4H3.
What are the key properties of [1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate?
[1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate has a molecular weight of 380.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 1061772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).