5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole

C18H18N2O3 — CID 71602506

IUPAC5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)ccc3OC)[nH]n2)cc1
InChIInChI=1S/C18H18N2O3/c1-21-13-6-4-12(5-7-13)16-11-17(20-19-16)15-10-14(22-2)8-9-18(15)23-3/h4-11H,1-3H3,(H,19,20)
InChIKeyCIJHERNRLIFFKI-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.77
Rot. Bonds5

About 5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole

5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 71602506) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole
PubChem CID71602506
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)ccc3OC)[nH]n2)cc1
InChIInChI=1S/C18H18N2O3/c1-21-13-6-4-12(5-7-13)16-11-17(20-19-16)15-10-14(22-2)8-9-18(15)23-3/h4-11H,1-3H3,(H,19,20)
InChIKeyCIJHERNRLIFFKI-UHFFFAOYSA-N
XLogP3.77
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole (CID 71602506) is 5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3cc(OC)ccc3OC)[nH]n2)cc1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is CIJHERNRLIFFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-21-13-6-4-12(5-7-13)16-11-17(20-19-16)15-10-14(22-2)8-9-18(15)23-3/h4-11H,1-3H3,(H,19,20).
What are the key properties of 5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole?
5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 310.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 71602506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).