4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole

C28H22N2Se — CID 146162067

IUPAC4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole
SMILESCc1ccc([Se]c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H22N2Se/c1-21-17-19-25(20-18-21)31-28-26(22-11-5-2-6-12-22)29-30(24-15-9-4-10-16-24)27(28)23-13-7-3-8-14-23/h2-20H,1H3
InChIKeyZAZXDOBMTSZKOK-UHFFFAOYSA-N
MW465.46 g/mol
LogP5.17
Rot. Bonds5

About 4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole

4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole (PubChem CID 146162067) has the molecular formula C28H22N2Se and a molecular weight of 465.46 g/mol. Its IUPAC name is 4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole.

Molecular Properties

Compound Name4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole
PubChem CID146162067
Molecular FormulaC28H22N2Se
Molecular Weight465.46 g/mol
Exact Mass466.09
IUPAC Name4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole
SMILESCc1ccc([Se]c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C28H22N2Se/c1-21-17-19-25(20-18-21)31-28-26(22-11-5-2-6-12-22)29-30(24-15-9-4-10-16-24)27(28)23-13-7-3-8-14-23/h2-20H,1H3
InChIKeyZAZXDOBMTSZKOK-UHFFFAOYSA-N
XLogP5.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole
CID 146162070
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
4-bromo-1,3,5-tris(4-methylphenyl)pyrazole
CID 19586848
5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
CID 15359150
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3831748
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
5-methyl-2-(4-methylphenyl)-3-phenylindazole
CID 177414447

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole?
The IUPAC name of 4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole (CID 146162067) is 4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole.
What is the SMILES notation for 4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole?
The canonical SMILES for 4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole is Cc1ccc([Se]c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole?
The InChIKey is ZAZXDOBMTSZKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2Se/c1-21-17-19-25(20-18-21)31-28-26(22-11-5-2-6-12-22)29-30(24-15-9-4-10-16-24)27(28)23-13-7-3-8-14-23/h2-20H,1H3.
What are the key properties of 4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole?
4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole has a molecular weight of 465.46 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)selanyl-1,3,5-triphenylpyrazole is sourced from PubChem (CID 146162067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).