1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole

C22H15BrN6 — CID 2825876

IUPAC1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole
SMILESBrc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H15BrN6/c23-17-11-13-19(14-12-17)29-22(25-26-27-29)20-15-24-28(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h1-15H
InChIKeyUIYPDMQYSRBQCY-UHFFFAOYSA-N
MW443.31 g/mol
LogP4.94
Rot. Bonds4

About 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole

1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole (PubChem CID 2825876) has the molecular formula C22H15BrN6 and a molecular weight of 443.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole
PubChem CID2825876
Molecular FormulaC22H15BrN6
Molecular Weight443.31 g/mol
Exact Mass442.05
IUPAC Name1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole
SMILESBrc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H15BrN6/c23-17-11-13-19(14-12-17)29-22(25-26-27-29)20-15-24-28(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h1-15H
InChIKeyUIYPDMQYSRBQCY-UHFFFAOYSA-N
XLogP4.94
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 822943
5-[1-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
CID 1046800
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 1046796
5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(4-methylphenyl)-1H-tetraazole
CID 1046816
1-(4-fluorophenyl)-5-[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-tetraazole
CID 1210219
1-(4-Bromophenyl)-2-(1,3-diphenylpyrazol-4-yl)-4,5-diphenylimidazole
CID 156013587
1-Phenyl-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,3,4-tetraazole
CID 2825792
5-{2-[1-(4-Bromo-phenyl)-3-(4-chloro-phenyl)-1h-pyrazol-4-yl]-ethyl}-1h-tetrazole
CID 25152468
7-[(4-bromophenyl)methyl]-8-(1-phenyl-3-propan-2-ylpyrazol-4-yl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169359
5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818187
3-(3-Bromophenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3572374

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole?
The IUPAC name of 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole (CID 2825876) is 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole.
What is the SMILES notation for 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole?
The canonical SMILES for 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole is Brc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole?
The InChIKey is UIYPDMQYSRBQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN6/c23-17-11-13-19(14-12-17)29-22(25-26-27-29)20-15-24-28(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h1-15H.
What are the key properties of 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole?
1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole has a molecular weight of 443.31 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-(1,5-diphenylpyrazol-4-yl)tetrazole is sourced from PubChem (CID 2825876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).