2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole

C10H9BrN6S — CID 56786433

IUPAC2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole
SMILESBrc1cnn(CCn2nnc(-c3cccs3)n2)c1
InChIInChI=1S/C10H9BrN6S/c11-8-6-12-16(7-8)3-4-17-14-10(13-15-17)9-2-1-5-18-9/h1-2,5-7H,3-4H2
InChIKeyLVBQSLPBLSDWFT-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.06
Rot. Bonds4

About 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole

2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole (PubChem CID 56786433) has the molecular formula C10H9BrN6S and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole.

Molecular Properties

Compound Name2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole
PubChem CID56786433
Molecular FormulaC10H9BrN6S
Molecular Weight325.20 g/mol
Exact Mass323.98
IUPAC Name2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole
SMILESBrc1cnn(CCn2nnc(-c3cccs3)n2)c1
InChIInChI=1S/C10H9BrN6S/c11-8-6-12-16(7-8)3-4-17-14-10(13-15-17)9-2-1-5-18-9/h1-2,5-7H,3-4H2
InChIKeyLVBQSLPBLSDWFT-UHFFFAOYSA-N
XLogP2.06
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole?
The IUPAC name of 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole (CID 56786433) is 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole.
What is the SMILES notation for 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole?
The canonical SMILES for 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole is Brc1cnn(CCn2nnc(-c3cccs3)n2)c1.
What is the InChIKey of 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole?
The InChIKey is LVBQSLPBLSDWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN6S/c11-8-6-12-16(7-8)3-4-17-14-10(13-15-17)9-2-1-5-18-9/h1-2,5-7H,3-4H2.
What are the key properties of 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole?
2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole has a molecular weight of 325.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromopyrazol-1-yl)ethyl]-5-thiophen-2-yltetrazole is sourced from PubChem (CID 56786433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).