5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole

C19H17BrN6 — CID 154492325

IUPAC5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole
SMILESCc1cccc(Cn2nnc(-c3cnn(Cc4ccccc4)c3Br)n2)c1
InChIInChI=1S/C19H17BrN6/c1-14-6-5-9-16(10-14)13-26-23-19(22-24-26)17-11-21-25(18(17)20)12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3
InChIKeyNBLLVGJRAYERJL-UHFFFAOYSA-N
MW409.29 g/mol
LogP3.70
Rot. Bonds5

About 5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole

5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole (PubChem CID 154492325) has the molecular formula C19H17BrN6 and a molecular weight of 409.29 g/mol. Its IUPAC name is 5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole
PubChem CID154492325
Molecular FormulaC19H17BrN6
Molecular Weight409.29 g/mol
Exact Mass408.07
IUPAC Name5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole
SMILESCc1cccc(Cn2nnc(-c3cnn(Cc4ccccc4)c3Br)n2)c1
InChIInChI=1S/C19H17BrN6/c1-14-6-5-9-16(10-14)13-26-23-19(22-24-26)17-11-21-25(18(17)20)12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3
InChIKeyNBLLVGJRAYERJL-UHFFFAOYSA-N
XLogP3.70
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
CID 7702797
2-benzyl-5-[5-chloro-1-(3,5-dimethylphenyl)pyrazol-4-yl]tetrazole
CID 90033633
5-(5-bromo-1-ethylpyrazol-4-yl)-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90021074
2-benzyl-5-[1-(3-bromophenyl)-5-chloropyrazol-4-yl]tetrazole
CID 90033956
4-[[5-[5-bromo-1-(2-methylpropyl)pyrazol-4-yl]tetrazol-2-yl]methyl]benzonitrile
CID 90030046
5-[2-[(3-methylphenyl)methyl]tetrazol-5-yl]-2-phenyl-1H-pyrazole-3-thione
CID 154056823
5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole
CID 90027318
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
benzonitrile;4-[[5-[5-bromo-1-(2-chlorophenyl)pyrazol-4-yl]tetrazol-2-yl]methyl]benzonitrile
CID 90034058
2-benzyl-5-[5-[[4-(2-benzyltetrazol-5-yl)-1-phenylpyrazol-5-yl]disulfanyl]-1-phenylpyrazol-4-yl]tetrazole
CID 90030007

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole?
The IUPAC name of 5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole (CID 154492325) is 5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole?
The canonical SMILES for 5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole is Cc1cccc(Cn2nnc(-c3cnn(Cc4ccccc4)c3Br)n2)c1.
What is the InChIKey of 5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole?
The InChIKey is NBLLVGJRAYERJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6/c1-14-6-5-9-16(10-14)13-26-23-19(22-24-26)17-11-21-25(18(17)20)12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3.
What are the key properties of 5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole?
5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole has a molecular weight of 409.29 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole is sourced from PubChem (CID 154492325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).