5-(4-bromopyrazol-1-yl)-1-methyltetrazole

C5H5BrN6 — CID 63150356

IUPAC5-(4-bromopyrazol-1-yl)-1-methyltetrazole
SMILESCn1nnnc1-n1cc(Br)cn1
InChIInChI=1S/C5H5BrN6/c1-11-5(8-9-10-11)12-3-4(6)2-7-12/h2-3H,1H3
InChIKeyQOTYVHBVKODTMQ-UHFFFAOYSA-N
MW229.04 g/mol
LogP0.16
Rot. Bonds1

About 5-(4-bromopyrazol-1-yl)-1-methyltetrazole

5-(4-bromopyrazol-1-yl)-1-methyltetrazole (PubChem CID 63150356) has the molecular formula C5H5BrN6 and a molecular weight of 229.04 g/mol. Its IUPAC name is 5-(4-bromopyrazol-1-yl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(4-bromopyrazol-1-yl)-1-methyltetrazole
PubChem CID63150356
Molecular FormulaC5H5BrN6
Molecular Weight229.04 g/mol
Exact Mass227.98
IUPAC Name5-(4-bromopyrazol-1-yl)-1-methyltetrazole
SMILESCn1nnnc1-n1cc(Br)cn1
InChIInChI=1S/C5H5BrN6/c1-11-5(8-9-10-11)12-3-4(6)2-7-12/h2-3H,1H3
InChIKeyQOTYVHBVKODTMQ-UHFFFAOYSA-N
XLogP0.16
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromopyrazol-1-yl)-1-methyltetrazole?
The IUPAC name of 5-(4-bromopyrazol-1-yl)-1-methyltetrazole (CID 63150356) is 5-(4-bromopyrazol-1-yl)-1-methyltetrazole.
What is the SMILES notation for 5-(4-bromopyrazol-1-yl)-1-methyltetrazole?
The canonical SMILES for 5-(4-bromopyrazol-1-yl)-1-methyltetrazole is Cn1nnnc1-n1cc(Br)cn1.
What is the InChIKey of 5-(4-bromopyrazol-1-yl)-1-methyltetrazole?
The InChIKey is QOTYVHBVKODTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN6/c1-11-5(8-9-10-11)12-3-4(6)2-7-12/h2-3H,1H3.
What are the key properties of 5-(4-bromopyrazol-1-yl)-1-methyltetrazole?
5-(4-bromopyrazol-1-yl)-1-methyltetrazole has a molecular weight of 229.04 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromopyrazol-1-yl)-1-methyltetrazole is sourced from PubChem (CID 63150356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).