4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole

C20H22N2O3 — CID 155526587

IUPAC4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2[nH]ncc2-c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O3/c1-12-6-7-14(8-13(12)2)16-11-21-22-19(16)15-9-17(23-3)20(25-5)18(10-15)24-4/h6-11H,1-5H3,(H,21,22)
InChIKeyMDPITEMSOPVMNU-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.39
Rot. Bonds5

About 4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole

4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 155526587) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID155526587
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2[nH]ncc2-c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O3/c1-12-6-7-14(8-13(12)2)16-11-21-22-19(16)15-9-17(23-3)20(25-5)18(10-15)24-4/h6-11H,1-5H3,(H,21,22)
InChIKeyMDPITEMSOPVMNU-UHFFFAOYSA-N
XLogP4.39
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 155526587) is 4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is COc1cc(-c2[nH]ncc2-c2ccc(C)c(C)c2)cc(OC)c1OC.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is MDPITEMSOPVMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12-6-7-14(8-13(12)2)16-11-21-22-19(16)15-9-17(23-3)20(25-5)18(10-15)24-4/h6-11H,1-5H3,(H,21,22).
What are the key properties of 4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole has a molecular weight of 338.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 155526587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).