5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole

C18H14BrClN6 — CID 25152468

IUPAC5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole
SMILESClc1ccc(-c2nn(-c3ccc(Br)cc3)cc2CCc2nn[nH]n2)cc1
InChIInChI=1S/C18H14BrClN6/c19-14-4-8-16(9-5-14)26-11-13(3-10-17-21-24-25-22-17)18(23-26)12-1-6-15(20)7-2-12/h1-2,4-9,11H,3,10H2,(H,21,22,24,25)
InChIKeyUVHGBBIZHHNLGW-UHFFFAOYSA-N
MW429.71 g/mol
LogP4.25
Rot. Bonds5

About 5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole

5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole (PubChem CID 25152468) has the molecular formula C18H14BrClN6 and a molecular weight of 429.71 g/mol. Its IUPAC name is 5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole
PubChem CID25152468
Molecular FormulaC18H14BrClN6
Molecular Weight429.71 g/mol
Exact Mass428.02
IUPAC Name5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole
SMILESClc1ccc(-c2nn(-c3ccc(Br)cc3)cc2CCc2nn[nH]n2)cc1
InChIInChI=1S/C18H14BrClN6/c19-14-4-8-16(9-5-14)26-11-13(3-10-17-21-24-25-22-17)18(23-26)12-1-6-15(20)7-2-12/h1-2,4-9,11H,3,10H2,(H,21,22,24,25)
InChIKeyUVHGBBIZHHNLGW-UHFFFAOYSA-N
XLogP4.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.71
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 66560257
3-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-4H-1,2,4-oxadiazol-5-one
CID 164616594
5-[1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545297
5-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545541
5-[1-(2-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545545
5-[1-(4-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545546
5-[1-(3-bromophenyl)-3-methylpyrazol-4-yl]-2H-tetrazole
CID 72545547
5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole
CID 73425791
5-(1,5-Diphenylpyrazol-4-yl)-1-(4-bromophenyl)-1,2,3,4-tetraazole
CID 2825876
1-(4-bromophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)tetrazole
CID 2825887
5-(1,3-diphenylpyrazol-4-yl)-2H-tetrazole
CID 76316679
5-[3-(2-chlorophenyl)-1-phenylpyrazol-4-yl]-2H-tetrazole
CID 76324025

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole (CID 25152468) is 5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole is Clc1ccc(-c2nn(-c3ccc(Br)cc3)cc2CCc2nn[nH]n2)cc1.
What is the InChIKey of 5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole?
The InChIKey is UVHGBBIZHHNLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN6/c19-14-4-8-16(9-5-14)26-11-13(3-10-17-21-24-25-22-17)18(23-26)12-1-6-15(20)7-2-12/h1-2,4-9,11H,3,10H2,(H,21,22,24,25).
What are the key properties of 5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole?
5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole has a molecular weight of 429.71 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]ethyl]-2H-tetrazole is sourced from PubChem (CID 25152468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).