4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole

C20H22N2O4 — CID 141435674

IUPAC4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
SMILESCOc1ccc(-c2cn(C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-22-12-16(13-6-8-15(23-2)9-7-13)19(21-22)14-10-17(24-3)20(26-5)18(11-14)25-4/h6-12H,1-5H3
InChIKeyZCAIWKWTVRGYEX-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.79
Rot. Bonds6

About 4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole

4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole (PubChem CID 141435674) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
PubChem CID141435674
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
SMILESCOc1ccc(-c2cn(C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-22-12-16(13-6-8-15(23-2)9-7-13)19(21-22)14-10-17(24-3)20(26-5)18(11-14)25-4/h6-12H,1-5H3
InChIKeyZCAIWKWTVRGYEX-UHFFFAOYSA-N
XLogP3.79
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole (CID 141435674) is 4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole is COc1ccc(-c2cn(C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole?
The InChIKey is ZCAIWKWTVRGYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-22-12-16(13-6-8-15(23-2)9-7-13)19(21-22)14-10-17(24-3)20(26-5)18(11-14)25-4/h6-12H,1-5H3.
What are the key properties of 4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole?
4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole has a molecular weight of 354.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole is sourced from PubChem (CID 141435674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).