5-(4-methoxyphenyl)-1,3-diphenylpyrazole

C22H18N2O — CID 14532339

IUPAC5-(4-methoxyphenyl)-1,3-diphenylpyrazole
SMILESCOc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c1-25-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23-24(22)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyYTXHHPOUUVVWGT-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.21
Rot. Bonds4

About 5-(4-methoxyphenyl)-1,3-diphenylpyrazole

5-(4-methoxyphenyl)-1,3-diphenylpyrazole (PubChem CID 14532339) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3-diphenylpyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3-diphenylpyrazole
PubChem CID14532339
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name5-(4-methoxyphenyl)-1,3-diphenylpyrazole
SMILESCOc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O/c1-25-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23-24(22)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyYTXHHPOUUVVWGT-UHFFFAOYSA-N
XLogP5.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3-diphenylpyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-1,3-diphenylpyrazole (CID 14532339) is 5-(4-methoxyphenyl)-1,3-diphenylpyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3-diphenylpyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3-diphenylpyrazole is COc1ccc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3-diphenylpyrazole?
The InChIKey is YTXHHPOUUVVWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23-24(22)19-10-6-3-7-11-19/h2-16H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1,3-diphenylpyrazole?
5-(4-methoxyphenyl)-1,3-diphenylpyrazole has a molecular weight of 326.40 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3-diphenylpyrazole is sourced from PubChem (CID 14532339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).