5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole

C11H10BrClN6 — CID 154466253

IUPAC5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole
SMILESCN1NNN=C1c1cnn(-c2ccccc2Br)c1Cl
InChIInChI=1S/C11H10BrClN6/c1-18-11(15-16-17-18)7-6-14-19(10(7)13)9-5-3-2-4-8(9)12/h2-6,16-17H,1H3
InChIKeyXIZDTHHYBMORDT-UHFFFAOYSA-N
MW341.60 g/mol
LogP1.90
Rot. Bonds2

About 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole

5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole (PubChem CID 154466253) has the molecular formula C11H10BrClN6 and a molecular weight of 341.60 g/mol. Its IUPAC name is 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole.

Molecular Properties

Compound Name5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole
PubChem CID154466253
Molecular FormulaC11H10BrClN6
Molecular Weight341.60 g/mol
Exact Mass339.98
IUPAC Name5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole
SMILESCN1NNN=C1c1cnn(-c2ccccc2Br)c1Cl
InChIInChI=1S/C11H10BrClN6/c1-18-11(15-16-17-18)7-6-14-19(10(7)13)9-5-3-2-4-8(9)12/h2-6,16-17H,1H3
InChIKeyXIZDTHHYBMORDT-UHFFFAOYSA-N
XLogP1.90
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.60
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromophenyl)-5-chloropyrazol-4-amine
CID 115050693
5-[5-chloro-1-(2,3-dichlorophenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
CID 154281546
5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-2-propan-2-yltetrazole
CID 154466281
5-[5-benzylsulfanyl-1-(3,4-dichlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole
CID 90028145
5-[5-bromo-1-(2-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
CID 154466267
1-benzyl-5-[5-chloro-1-(4-ethylphenyl)pyrazol-4-yl]-2,3-dihydrotetrazole
CID 154466289
1-(2-bromophenyl)-4,5-dimethylpyrazole
CID 21033983
5-(5-chloro-1-methylpyrazol-4-yl)-1-ethyl-2,3-dihydrotetrazole
CID 90029070
1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83904565
[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol
CID 77174643
1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 84647553
5-[1-(4-chlorophenyl)pyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole
CID 90030224

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole?
The IUPAC name of 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole (CID 154466253) is 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole.
What is the SMILES notation for 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole?
The canonical SMILES for 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole is CN1NNN=C1c1cnn(-c2ccccc2Br)c1Cl.
What is the InChIKey of 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole?
The InChIKey is XIZDTHHYBMORDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN6/c1-18-11(15-16-17-18)7-6-14-19(10(7)13)9-5-3-2-4-8(9)12/h2-6,16-17H,1H3.
What are the key properties of 5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole?
5-[1-(2-bromophenyl)-5-chloropyrazol-4-yl]-1-methyl-2,3-dihydrotetrazole has a molecular weight of 341.60 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 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]-1-methyl-2,3-dihydrotetrazole is sourced from PubChem (CID 154466253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).