1,5-bis(4-methoxyphenyl)pyrazole

C17H16N2O2 — CID 57058186

IUPAC1,5-bis(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-c2ccnn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-20-15-7-3-13(4-8-15)17-11-12-18-19(17)14-5-9-16(21-2)10-6-14/h3-12H,1-2H3
InChIKeyUVTVGCJRYZNZMQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds4

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

1,5-bis(4-methoxyphenyl)pyrazole (PubChem CID 57058186) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1,5-bis(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name1,5-bis(4-methoxyphenyl)pyrazole
PubChem CID57058186
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1,5-bis(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-c2ccnn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H16N2O2/c1-20-15-7-3-13(4-8-15)17-11-12-18-19(17)14-5-9-16(21-2)10-6-14/h3-12H,1-2H3
InChIKeyUVTVGCJRYZNZMQ-UHFFFAOYSA-N
XLogP3.56
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-methoxyphenyl)pyrazole?
The IUPAC name of 1,5-bis(4-methoxyphenyl)pyrazole (CID 57058186) is 1,5-bis(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 1,5-bis(4-methoxyphenyl)pyrazole?
The canonical SMILES for 1,5-bis(4-methoxyphenyl)pyrazole is COc1ccc(-c2ccnn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,5-bis(4-methoxyphenyl)pyrazole?
The InChIKey is UVTVGCJRYZNZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-15-7-3-13(4-8-15)17-11-12-18-19(17)14-5-9-16(21-2)10-6-14/h3-12H,1-2H3.
What are the key properties of 1,5-bis(4-methoxyphenyl)pyrazole?
1,5-bis(4-methoxyphenyl)pyrazole has a molecular weight of 280.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 57058186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).