5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole

C22H18N2OSe — CID 132837815

IUPAC5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole
SMILESCOc1ccc(-c2c([Se]c3ccccc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2OSe/c1-25-19-14-12-17(13-15-19)22-21(26-20-10-6-3-7-11-20)16-23-24(22)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyBZRBMNAERJSBAG-UHFFFAOYSA-N
MW405.36 g/mol
LogP3.20
Rot. Bonds5

About 5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole

5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole (PubChem CID 132837815) has the molecular formula C22H18N2OSe and a molecular weight of 405.36 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole
PubChem CID132837815
Molecular FormulaC22H18N2OSe
Molecular Weight405.36 g/mol
Exact Mass406.06
IUPAC Name5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole
SMILESCOc1ccc(-c2c([Se]c3ccccc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2OSe/c1-25-19-14-12-17(13-15-19)22-21(26-20-10-6-3-7-11-20)16-23-24(22)18-8-4-2-5-9-18/h2-16H,1H3
InChIKeyBZRBMNAERJSBAG-UHFFFAOYSA-N
XLogP3.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-3-phenylselanylquinoline
CID 86038980
2-[4-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]ethynyl-trimethylsilane
CID 71489509
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine
CID 56930184
7-methoxy-1-phenyl-4,5-dihydrobenzo[g]indazole
CID 11425868
5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 156773816
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
3-(4-methoxyphenyl)-5-methyl-1-phenylpyrazolo[3,4-d]pyridazin-4-one
CID 101073862
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-[(4-methoxyphenyl)diazenyl]-6-phenylpyridazin-4-imine
CID 136916281
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
1,2-dimethoxy-4,5-bis(phenylselanyl)benzene
CID 15257774

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole (CID 132837815) is 5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole is COc1ccc(-c2c([Se]c3ccccc3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole?
The InChIKey is BZRBMNAERJSBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OSe/c1-25-19-14-12-17(13-15-19)22-21(26-20-10-6-3-7-11-20)16-23-24(22)18-8-4-2-5-9-18/h2-16H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole?
5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole has a molecular weight of 405.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole is sourced from PubChem (CID 132837815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).