1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole

C18H16N6S — CID 17449443

IUPAC1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole
SMILESCc1ccccc1-n1nnnc1SCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H16N6S/c1-14-5-2-3-6-17(14)24-18(20-21-22-24)25-13-15-7-9-16(10-8-15)23-12-4-11-19-23/h2-12H,13H2,1H3
InChIKeyBQYQDAIVPPYCMG-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.45
Rot. Bonds5

About 1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole

1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole (PubChem CID 17449443) has the molecular formula C18H16N6S and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole
PubChem CID17449443
Molecular FormulaC18H16N6S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Name1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole
SMILESCc1ccccc1-n1nnnc1SCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H16N6S/c1-14-5-2-3-6-17(14)24-18(20-21-22-24)25-13-15-7-9-16(10-8-15)23-12-4-11-19-23/h2-12H,13H2,1H3
InChIKeyBQYQDAIVPPYCMG-UHFFFAOYSA-N
XLogP3.45
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 17453452
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 16508726
1-(2-methylphenyl)-5-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]tetrazole
CID 16508779
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 17496707
1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
CID 7878057
5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8685909
5-[(2,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 2390682
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
5-[(4-bromophenyl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole
CID 598194
5-[(4-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 2485632

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole (CID 17449443) is 1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole is Cc1ccccc1-n1nnnc1SCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole?
The InChIKey is BQYQDAIVPPYCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S/c1-14-5-2-3-6-17(14)24-18(20-21-22-24)25-13-15-7-9-16(10-8-15)23-12-4-11-19-23/h2-12H,13H2,1H3.
What are the key properties of 1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole?
1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole has a molecular weight of 348.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 17449443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).