5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole

C20H20N6S — CID 90027318

IUPAC5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole
SMILESCCn1nnc(-c2cnn(Cc3ccccc3)c2SCc2ccccc2)n1
InChIInChI=1S/C20H20N6S/c1-2-26-23-19(22-24-26)18-13-21-25(14-16-9-5-3-6-10-16)20(18)27-15-17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3
InChIKeyAQDKUXOFHUDZGA-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.90
Rot. Bonds7

About 5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole

5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole (PubChem CID 90027318) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole.

Molecular Properties

Compound Name5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole
PubChem CID90027318
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole
SMILESCCn1nnc(-c2cnn(Cc3ccccc3)c2SCc2ccccc2)n1
InChIInChI=1S/C20H20N6S/c1-2-26-23-19(22-24-26)18-13-21-25(14-16-9-5-3-6-10-16)20(18)27-15-17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3
InChIKeyAQDKUXOFHUDZGA-UHFFFAOYSA-N
XLogP3.90
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)tetrazol-2-yl]methyl]benzonitrile
CID 90029735
5-[5-benzylsulfanyl-1-(2-methylpropyl)pyrazol-4-yl]-2-[(4-nitrophenyl)methyl]tetrazole
CID 90033907
2-benzyl-5-[5-benzylsulfanyl-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
CID 90028196
4-[[5-[5-benzylsulfanyl-1-(2-fluorophenyl)pyrazol-4-yl]tetrazol-2-yl]methyl]benzonitrile
CID 90034220
1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole
CID 90030008
2-benzyl-5-[5-[[4-(2-benzyltetrazol-5-yl)-1-phenylpyrazol-5-yl]disulfanyl]-1-phenylpyrazol-4-yl]tetrazole
CID 90030007
5-[5-benzylsulfanyl-1-(3,4-dichlorophenyl)pyrazol-4-yl]-2-[(4-bromophenyl)methyl]tetrazole
CID 90029105
4-[[5-[5-benzylsulfanyl-1-(3-chlorophenyl)pyrazol-4-yl]tetrazol-2-yl]methyl]benzonitrile
CID 90028984
5-[5-benzylsulfanyl-1-(4-chlorophenyl)pyrazol-4-yl]-2-[(4-nitrophenyl)methyl]tetrazole
CID 90029820
5-[5-benzylsulfanyl-1-(3,5-dichlorophenyl)pyrazol-4-yl]-2-propan-2-yltetrazole
CID 90029956
5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole
CID 154492325
2-benzyl-5-[5-[[4-(2-benzyltetrazol-5-yl)-1-(4-methoxyphenyl)pyrazol-5-yl]disulfanyl]-1-(4-methoxyphenyl)pyrazol-4-yl]tetrazole
CID 90028710

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole?
The IUPAC name of 5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole (CID 90027318) is 5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole.
What is the SMILES notation for 5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole?
The canonical SMILES for 5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole is CCn1nnc(-c2cnn(Cc3ccccc3)c2SCc2ccccc2)n1.
What is the InChIKey of 5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole?
The InChIKey is AQDKUXOFHUDZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-2-26-23-19(22-24-26)18-13-21-25(14-16-9-5-3-6-10-16)20(18)27-15-17-11-7-4-8-12-17/h3-13H,2,14-15H2,1H3.
What are the key properties of 5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole?
5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole has a molecular weight of 376.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-5-benzylsulfanylpyrazol-4-yl)-2-ethyltetrazole is sourced from PubChem (CID 90027318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).