5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole

C12H11BrN6 — CID 55038470

IUPAC5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole
SMILESCc1nn(-c2nnnn2-c2ccccc2)c(C)c1Br
InChIInChI=1S/C12H11BrN6/c1-8-11(13)9(2)18(15-8)12-14-16-17-19(12)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyQEWCTNLKXGWNEL-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.23
Rot. Bonds2

About 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole

5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole (PubChem CID 55038470) has the molecular formula C12H11BrN6 and a molecular weight of 319.17 g/mol. Its IUPAC name is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole
PubChem CID55038470
Molecular FormulaC12H11BrN6
Molecular Weight319.17 g/mol
Exact Mass318.02
IUPAC Name5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole
SMILESCc1nn(-c2nnnn2-c2ccccc2)c(C)c1Br
InChIInChI=1S/C12H11BrN6/c1-8-11(13)9(2)18(15-8)12-14-16-17-19(12)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyQEWCTNLKXGWNEL-UHFFFAOYSA-N
XLogP2.23
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole?
The IUPAC name of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole (CID 55038470) is 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole.
What is the SMILES notation for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole?
The canonical SMILES for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole is Cc1nn(-c2nnnn2-c2ccccc2)c(C)c1Br.
What is the InChIKey of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole?
The InChIKey is QEWCTNLKXGWNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6/c1-8-11(13)9(2)18(15-8)12-14-16-17-19(12)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole?
5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole has a molecular weight of 319.17 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenyltetrazole is sourced from PubChem (CID 55038470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).