1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole

C16H11BrN6 — CID 2825887

IUPAC1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
SMILESBrc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C16H11BrN6/c17-12-6-8-13(9-7-12)23-16(20-21-22-23)14-10-18-19-15(14)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyRTZZTWQMZWYXTP-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.48
Rot. Bonds3

About 1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole

1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole (PubChem CID 2825887) has the molecular formula C16H11BrN6 and a molecular weight of 367.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
PubChem CID2825887
Molecular FormulaC16H11BrN6
Molecular Weight367.21 g/mol
Exact Mass366.02
IUPAC Name1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
SMILESBrc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C16H11BrN6/c17-12-6-8-13(9-7-12)23-16(20-21-22-23)14-10-18-19-15(14)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyRTZZTWQMZWYXTP-UHFFFAOYSA-N
XLogP3.48
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzylpyrazol-4-yl)-5-bromo-2H-pyrazolo[3,4-b]pyridine
CID 164623335
5-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 822943
5-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818189
5-{2-[1-(4-Bromo-phenyl)-3-(4-chloro-phenyl)-1h-pyrazol-4-yl]-ethyl}-1h-tetrazole
CID 25152468
5-[3-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-(p-tolyl)tetrazole
CID 737147
5-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1-phenyl-1H-tetraazole
CID 2818187
13-Benzyl-6-(4-bromophenyl)-4-phenyl-1,2,4,5,9,11,12-heptazatricyclo[8.3.0.03,7]trideca-3(7),5,8,10,12-pentaene
CID 136022232
6-(4-Bromophenyl)-4,13-diphenyl-1,2,4,5,9,11,12-heptazatricyclo[8.3.0.03,7]trideca-3(7),5,8,10,12-pentaene
CID 136022235
1-(4-methylphenyl)-5-[5-(3-methylphenyl)-1H-pyrazol-4-yl]tetrazole
CID 136244576
1-[[3-(4-Bromophenyl)-1-phenylpyrazol-4-yl]methyl]-1,2,4-triazole
CID 137662028
1-Phenyl-5-[5-(3-trifluoromethylphenyl)-1H-pyrazol-4-yl]-1H-tetrazole
CID 135659246
1-(4-ethylphenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1H-tetraazole
CID 2801847

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
The IUPAC name of 1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole (CID 2825887) is 1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole.
What is the SMILES notation for 1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
The canonical SMILES for 1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole is Brc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
The InChIKey is RTZZTWQMZWYXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN6/c17-12-6-8-13(9-7-12)23-16(20-21-22-23)14-10-18-19-15(14)11-4-2-1-3-5-11/h1-10H,(H,18,19).
What are the key properties of 1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole?
1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole has a molecular weight of 367.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole is sourced from PubChem (CID 2825887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).