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

C20H22N2O5 — CID 11710445

IUPAC5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1OC
InChIInChI=1S/C20H22N2O5/c1-23-16-7-6-12(8-17(16)24-2)14-11-15(22-21-14)13-9-18(25-3)20(27-5)19(10-13)26-4/h6-11H,1-5H3,(H,21,22)
InChIKeyZAGKJIYNPSIMRS-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.79
Rot. Bonds7

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

5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 11710445) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID11710445
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1OC
InChIInChI=1S/C20H22N2O5/c1-23-16-7-6-12(8-17(16)24-2)14-11-15(22-21-14)13-9-18(25-3)20(27-5)19(10-13)26-4/h6-11H,1-5H3,(H,21,22)
InChIKeyZAGKJIYNPSIMRS-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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Related Compounds

Cct-018159
CID 984170
3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 764764
XN-0502
CID 46183322
3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
5-methoxy-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 874817
Hydrazinocurcumin
CID 135494223
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973276
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973278
5-methoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 947248
6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 137348793
4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435682
5-(4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435695

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 11710445) is 5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is ZAGKJIYNPSIMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-23-16-7-6-12(8-17(16)24-2)14-11-15(22-21-14)13-9-18(25-3)20(27-5)19(10-13)26-4/h6-11H,1-5H3,(H,21,22).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
5-(3,4-dimethoxyphenyl)-3-(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 5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 11710445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).