5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole

C14H9BrN6S — CID 155806983

IUPAC5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole
SMILESBrc1ccc(-c2nn(-c3ccccc3)cc2-c2nn[nH]n2)s1
InChIInChI=1S/C14H9BrN6S/c15-12-7-6-11(22-12)13-10(14-16-19-20-17-14)8-21(18-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,19,20)
InChIKeyIQJOCCNKOHUSLD-UHFFFAOYSA-N
MW373.24 g/mol
LogP3.54
Rot. Bonds3

About 5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole

5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole (PubChem CID 155806983) has the molecular formula C14H9BrN6S and a molecular weight of 373.24 g/mol. Its IUPAC name is 5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole
PubChem CID155806983
Molecular FormulaC14H9BrN6S
Molecular Weight373.24 g/mol
Exact Mass371.98
IUPAC Name5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole
SMILESBrc1ccc(-c2nn(-c3ccccc3)cc2-c2nn[nH]n2)s1
InChIInChI=1S/C14H9BrN6S/c15-12-7-6-11(22-12)13-10(14-16-19-20-17-14)8-21(18-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,19,20)
InChIKeyIQJOCCNKOHUSLD-UHFFFAOYSA-N
XLogP3.54
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole (CID 155806983) is 5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole is Brc1ccc(-c2nn(-c3ccccc3)cc2-c2nn[nH]n2)s1.
What is the InChIKey of 5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
The InChIKey is IQJOCCNKOHUSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN6S/c15-12-7-6-11(22-12)13-10(14-16-19-20-17-14)8-21(18-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,19,20).
What are the key properties of 5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole?
5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole has a molecular weight of 373.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 155806983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).