3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole

C20H19N5S — CID 1477670

IUPAC3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole
SMILESCCn1c(SC)nnc1-c1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H19N5S/c1-3-24-19(22-23-20(24)26-2)17-14-21-25(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-14H,3H2,1-2H3
InChIKeyYQSUJKKOTUVRIS-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.54
Rot. Bonds5

About 3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole

3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole (PubChem CID 1477670) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole
PubChem CID1477670
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole
SMILESCCn1c(SC)nnc1-c1cnn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H19N5S/c1-3-24-19(22-23-20(24)26-2)17-14-21-25(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-14H,3H2,1-2H3
InChIKeyYQSUJKKOTUVRIS-UHFFFAOYSA-N
XLogP4.54
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenylquinoline
CID 30695364
4-ethyl-3-[(3-methoxyphenyl)methylsulfanyl]-5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-triazole
CID 2768227
3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
CID 893283
3-butylsulfanyl-4-ethyl-5-phenyl-1,2,4-triazole
CID 78812573
4-[5-(4-chlorophenyl)-1-phenylpyrazol-4-yl]pyridine
CID 154450711
5-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
CID 31073729
3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-amine
CID 869419
6-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137272603
(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
CID 2479408
4-ethyl-3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole
CID 862964
3-(4-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
CID 47003671
2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4509563

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole?
The IUPAC name of 3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole (CID 1477670) is 3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole?
The canonical SMILES for 3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole is CCn1c(SC)nnc1-c1cnn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole?
The InChIKey is YQSUJKKOTUVRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-3-24-19(22-23-20(24)26-2)17-14-21-25(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-14H,3H2,1-2H3.
What are the key properties of 3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole?
3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole has a molecular weight of 361.47 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-diphenylpyrazol-4-yl)-4-ethyl-5-methylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 1477670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).