5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole

C23H18N6S — CID 7695789

IUPAC5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C23H18N6S/c1-4-10-18(11-5-1)22-19(16-28(25-22)20-12-6-2-7-13-20)17-30-23-24-26-27-29(23)21-14-8-3-9-15-21/h1-16H,17H2
InChIKeyQMALNEOAZWZHCR-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.81
Rot. Bonds6

About 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole

5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole (PubChem CID 7695789) has the molecular formula C23H18N6S and a molecular weight of 410.51 g/mol. Its IUPAC name is 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole
PubChem CID7695789
Molecular FormulaC23H18N6S
Molecular Weight410.51 g/mol
Exact Mass410.13
IUPAC Name5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole
SMILESc1ccc(-c2nn(-c3ccccc3)cc2CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C23H18N6S/c1-4-10-18(11-5-1)22-19(16-28(25-22)20-12-6-2-7-13-20)17-30-23-24-26-27-29(23)21-14-8-3-9-15-21/h1-16H,17H2
InChIKeyQMALNEOAZWZHCR-UHFFFAOYSA-N
XLogP4.81
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-1-methyltetrazole
CID 37285323
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-(2-methoxyphenyl)-1,2,4-triazole
CID 18209033
4-[5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]pyridine
CID 27268275
3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine
CID 4839922
4-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 91144824
3-[3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide
CID 24630926
3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole
CID 18140999
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
CID 51140263
1-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 45100007
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
3-(4-methylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1225794

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole?
The IUPAC name of 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole (CID 7695789) is 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole?
The canonical SMILES for 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole is c1ccc(-c2nn(-c3ccccc3)cc2CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole?
The InChIKey is QMALNEOAZWZHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6S/c1-4-10-18(11-5-1)22-19(16-28(25-22)20-12-6-2-7-13-20)17-30-23-24-26-27-29(23)21-14-8-3-9-15-21/h1-16H,17H2.
What are the key properties of 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole?
5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole has a molecular weight of 410.51 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole is sourced from PubChem (CID 7695789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).