2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole

C17H12BrClN6 — CID 90029863

IUPAC2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole
SMILESClc1ccccc1-n1cc(-c2nnn(Cc3ccc(Br)cc3)n2)cn1
InChIInChI=1S/C17H12BrClN6/c18-14-7-5-12(6-8-14)10-25-22-17(21-23-25)13-9-20-24(11-13)16-4-2-1-3-15(16)19/h1-9,11H,10H2
InChIKeyIOEYBBFEBGFARY-UHFFFAOYSA-N
MW415.68 g/mol
LogP3.99
Rot. Bonds4

About 2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole

2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole (PubChem CID 90029863) has the molecular formula C17H12BrClN6 and a molecular weight of 415.68 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole
PubChem CID90029863
Molecular FormulaC17H12BrClN6
Molecular Weight415.68 g/mol
Exact Mass414.00
IUPAC Name2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole
SMILESClc1ccccc1-n1cc(-c2nnn(Cc3ccc(Br)cc3)n2)cn1
InChIInChI=1S/C17H12BrClN6/c18-14-7-5-12(6-8-14)10-25-22-17(21-23-25)13-9-20-24(11-13)16-4-2-1-3-15(16)19/h1-9,11H,10H2
InChIKeyIOEYBBFEBGFARY-UHFFFAOYSA-N
XLogP3.99
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.68
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzonitrile;4-[[5-[5-bromo-1-(2-chlorophenyl)pyrazol-4-yl]tetrazol-2-yl]methyl]benzonitrile
CID 90034058
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330
2-[(4-bromophenyl)methyl]-5-[5-[[4-[2-[(4-bromophenyl)methyl]tetrazol-5-yl]-1-(2,5-dichlorophenyl)pyrazol-5-yl]disulfanyl]-1-(2,5-dichlorophenyl)pyrazol-4-yl]tetrazole
CID 90028201
5-(4-bromophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole
CID 7490503
5-[5-benzylsulfanyl-1-(3,4-dichlorophenyl)pyrazol-4-yl]-2-[(4-bromophenyl)methyl]tetrazole
CID 90029105
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
5-[1-(2-chlorophenyl)-5-iodopyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90029127
2-benzyl-5-[1-(3-bromophenyl)-5-chloropyrazol-4-yl]tetrazole
CID 90033956
3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
CID 8598063
3-bromo-5-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 103350064
4-[[1-(2-chlorophenyl)pyrazol-4-yl]methyl]thiomorpholine
CID 77097579
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole (CID 90029863) is 2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole is Clc1ccccc1-n1cc(-c2nnn(Cc3ccc(Br)cc3)n2)cn1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole?
The InChIKey is IOEYBBFEBGFARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN6/c18-14-7-5-12(6-8-14)10-25-22-17(21-23-25)13-9-20-24(11-13)16-4-2-1-3-15(16)19/h1-9,11H,10H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole?
2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole has a molecular weight of 415.68 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-5-[1-(2-chlorophenyl)pyrazol-4-yl]tetrazole is sourced from PubChem (CID 90029863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).