1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole

C20H22N6S — CID 90030008

IUPAC1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole
SMILESCCn1ncc(C2=NNNN2Cc2ccccc2)c1SCc1ccccc1
InChIInChI=1S/C20H22N6S/c1-2-25-20(27-15-17-11-7-4-8-12-17)18(13-21-25)19-22-23-24-26(19)14-16-9-5-3-6-10-16/h3-13,23-24H,2,14-15H2,1H3
InChIKeyWUCQNZJZONNPQA-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.38
Rot. Bonds7

About 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole

1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole (PubChem CID 90030008) has the molecular formula C20H22N6S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole.

Molecular Properties

Compound Name1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole
PubChem CID90030008
Molecular FormulaC20H22N6S
Molecular Weight378.50 g/mol
Exact Mass378.16
IUPAC Name1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole
SMILESCCn1ncc(C2=NNNN2Cc2ccccc2)c1SCc1ccccc1
InChIInChI=1S/C20H22N6S/c1-2-25-20(27-15-17-11-7-4-8-12-17)18(13-21-25)19-22-23-24-26(19)14-16-9-5-3-6-10-16/h3-13,23-24H,2,14-15H2,1H3
InChIKeyWUCQNZJZONNPQA-UHFFFAOYSA-N
XLogP3.38
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole?
The IUPAC name of 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole (CID 90030008) is 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole.
What is the SMILES notation for 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole?
The canonical SMILES for 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole is CCn1ncc(C2=NNNN2Cc2ccccc2)c1SCc1ccccc1.
What is the InChIKey of 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole?
The InChIKey is WUCQNZJZONNPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6S/c1-2-25-20(27-15-17-11-7-4-8-12-17)18(13-21-25)19-22-23-24-26(19)14-16-9-5-3-6-10-16/h3-13,23-24H,2,14-15H2,1H3.
What are the key properties of 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole?
1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole has a molecular weight of 378.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(5-benzylsulfanyl-1-ethylpyrazol-4-yl)-2,3-dihydrotetrazole is sourced from PubChem (CID 90030008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).