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

C20H22N2O5 — CID 141185580

IUPAC4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cn[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H22N2O5/c1-23-15-7-6-12(8-16(15)24-2)14-11-21-22-19(14)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-11H,1-5H3,(H,21,22)
InChIKeyGXUJUWFMMUUKOX-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.79
Rot. Bonds7

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

4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 141185580) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID141185580
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cn[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C20H22N2O5/c1-23-15-7-6-12(8-16(15)24-2)14-11-21-22-19(14)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-11H,1-5H3,(H,21,22)
InChIKeyGXUJUWFMMUUKOX-UHFFFAOYSA-N
XLogP3.79
TPSA74.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 141185580) is 4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is COc1ccc(-c2cn[nH]c2-c2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is GXUJUWFMMUUKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-23-15-7-6-12(8-16(15)24-2)14-11-21-22-19(14)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-11H,1-5H3,(H,21,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole has a molecular weight of 370.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 141185580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).