5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole

C13H12BrClN6 — CID 154466281

IUPAC5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole
SMILESCC(C)n1nnc(-c2cnn(-c3ccccc3Br)c2Cl)n1
InChIInChI=1S/C13H12BrClN6/c1-8(2)21-18-13(17-19-21)9-7-16-20(12(9)15)11-6-4-3-5-10(11)14/h3-8H,1-2H3
InChIKeyZPHAUDABRCFXMA-UHFFFAOYSA-N
MW367.64 g/mol
LogP3.52
Rot. Bonds3

About 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole

5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole (PubChem CID 154466281) has the molecular formula C13H12BrClN6 and a molecular weight of 367.64 g/mol. Its IUPAC name is 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole.

Molecular Properties

Compound Name5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole
PubChem CID154466281
Molecular FormulaC13H12BrClN6
Molecular Weight367.64 g/mol
Exact Mass366.00
IUPAC Name5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole
SMILESCC(C)n1nnc(-c2cnn(-c3ccccc3Br)c2Cl)n1
InChIInChI=1S/C13H12BrClN6/c1-8(2)21-18-13(17-19-21)9-7-16-20(12(9)15)11-6-4-3-5-10(11)14/h3-8H,1-2H3
InChIKeyZPHAUDABRCFXMA-UHFFFAOYSA-N
XLogP3.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.64
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole?
The IUPAC name of 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole (CID 154466281) is 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole.
What is the SMILES notation for 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole?
The canonical SMILES for 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole is CC(C)n1nnc(-c2cnn(-c3ccccc3Br)c2Cl)n1.
What is the InChIKey of 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole?
The InChIKey is ZPHAUDABRCFXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN6/c1-8(2)21-18-13(17-19-21)9-7-16-20(12(9)15)11-6-4-3-5-10(11)14/h3-8H,1-2H3.
What are the key properties of 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole?
5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole has a molecular weight of 367.64 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole is sourced from PubChem (CID 154466281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).