3,5-bis(4-methoxyphenyl)-1H-pyrazole

C17H16N2O2 — CID 658538

IUPAC3,5-bis(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)[nH]n2)cc1
InChIInChI=1S/C17H16N2O2/c1-20-14-7-3-12(4-8-14)16-11-17(19-18-16)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyHRDCRGDKFGHPHP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.76
Rot. Bonds4

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

3,5-bis(4-methoxyphenyl)-1H-pyrazole (PubChem CID 658538) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3,5-bis(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(4-methoxyphenyl)-1H-pyrazole
PubChem CID658538
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3,5-bis(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)[nH]n2)cc1
InChIInChI=1S/C17H16N2O2/c1-20-14-7-3-12(4-8-14)16-11-17(19-18-16)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyHRDCRGDKFGHPHP-UHFFFAOYSA-N
XLogP3.76
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 3,5-bis(4-methoxyphenyl)-1H-pyrazole (CID 658538) is 3,5-bis(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 3,5-bis(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 3,5-bis(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3ccc(OC)cc3)[nH]n2)cc1.
What is the InChIKey of 3,5-bis(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is HRDCRGDKFGHPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-14-7-3-12(4-8-14)16-11-17(19-18-16)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3,5-bis(4-methoxyphenyl)-1H-pyrazole?
3,5-bis(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 280.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 658538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).