3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole

C27H19ClN2Se — CID 146162070

IUPAC3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole
SMILESClc1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2[Se]c2ccccc2)cc1
InChIInChI=1S/C27H19ClN2Se/c28-22-18-16-20(17-19-22)25-27(31-24-14-8-3-9-15-24)26(21-10-4-1-5-11-21)30(29-25)23-12-6-2-7-13-23/h1-19H
InChIKeyYUCBSLLJLROXRX-UHFFFAOYSA-N
MW485.88 g/mol
LogP5.51
Rot. Bonds5

About 3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole

3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole (PubChem CID 146162070) has the molecular formula C27H19ClN2Se and a molecular weight of 485.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole
PubChem CID146162070
Molecular FormulaC27H19ClN2Se
Molecular Weight485.88 g/mol
Exact Mass486.04
IUPAC Name3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole
SMILESClc1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2[Se]c2ccccc2)cc1
InChIInChI=1S/C27H19ClN2Se/c28-22-18-16-20(17-19-22)25-27(31-24-14-8-3-9-15-24)26(21-10-4-1-5-11-21)30(29-25)23-12-6-2-7-13-23/h1-19H
InChIKeyYUCBSLLJLROXRX-UHFFFAOYSA-N
XLogP5.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.88
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole?
The IUPAC name of 3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole (CID 146162070) is 3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole is Clc1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c2[Se]c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole?
The InChIKey is YUCBSLLJLROXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2Se/c28-22-18-16-20(17-19-22)25-27(31-24-14-8-3-9-15-24)26(21-10-4-1-5-11-21)30(29-25)23-12-6-2-7-13-23/h1-19H.
What are the key properties of 3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole?
3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole has a molecular weight of 485.88 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole is sourced from PubChem (CID 146162070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).