5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole

C21H24N6S — CID 90028648

IUPAC5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
SMILESCCc1ccc(-n2ncc(C3=NNNN3CC)c2SCc2ccccc2)cc1
InChIInChI=1S/C21H24N6S/c1-3-16-10-12-18(13-11-16)27-21(28-15-17-8-6-5-7-9-17)19(14-22-27)20-23-24-25-26(20)4-2/h5-14,24-25H,3-4,15H2,1-2H3
InChIKeyXEIZFOZHHHBACA-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.73
Rot. Bonds7

About 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole

5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole (PubChem CID 90028648) has the molecular formula C21H24N6S and a molecular weight of 392.53 g/mol. Its IUPAC name is 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole.

Molecular Properties

Compound Name5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
PubChem CID90028648
Molecular FormulaC21H24N6S
Molecular Weight392.53 g/mol
Exact Mass392.18
IUPAC Name5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
SMILESCCc1ccc(-n2ncc(C3=NNNN3CC)c2SCc2ccccc2)cc1
InChIInChI=1S/C21H24N6S/c1-3-16-10-12-18(13-11-16)27-21(28-15-17-8-6-5-7-9-17)19(14-22-27)20-23-24-25-26(20)4-2/h5-14,24-25H,3-4,15H2,1-2H3
InChIKeyXEIZFOZHHHBACA-UHFFFAOYSA-N
XLogP3.73
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-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 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The IUPAC name of 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole (CID 90028648) is 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole.
What is the SMILES notation for 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The canonical SMILES for 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole is CCc1ccc(-n2ncc(C3=NNNN3CC)c2SCc2ccccc2)cc1.
What is the InChIKey of 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
The InChIKey is XEIZFOZHHHBACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6S/c1-3-16-10-12-18(13-11-16)27-21(28-15-17-8-6-5-7-9-17)19(14-22-27)20-23-24-25-26(20)4-2/h5-14,24-25H,3-4,15H2,1-2H3.
What are the key properties of 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole?
5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole has a molecular weight of 392.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-benzylsulfanyl-1-(4-ethylphenyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole is sourced from PubChem (CID 90028648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).