N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C22H22N6OS — CID 24591647

IUPACN-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n[nH]1
InChIInChI=1S/C22H22N6OS/c1-2-9-19-23-22(26-25-19)30-15-21(29)24-20-14-18(16-10-5-3-6-11-16)27-28(20)17-12-7-4-8-13-17/h3-8,10-14H,2,9,15H2,1H3,(H,24,29)(H,23,25,26)
InChIKeyUPYYFLAAOWJNGE-UHFFFAOYSA-N
MW418.53 g/mol
LogP4.34
Rot. Bonds8

About N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 24591647) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID24591647
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n[nH]1
InChIInChI=1S/C22H22N6OS/c1-2-9-19-23-22(26-25-19)30-15-21(29)24-20-14-18(16-10-5-3-6-11-16)27-28(20)17-12-7-4-8-13-17/h3-8,10-14H,2,9,15H2,1H3,(H,24,29)(H,23,25,26)
InChIKeyUPYYFLAAOWJNGE-UHFFFAOYSA-N
XLogP4.34
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

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CID 1062156
3-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole
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CID 42918637
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 24591647) is N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n[nH]1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is UPYYFLAAOWJNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-2-9-19-23-22(26-25-19)30-15-21(29)24-20-14-18(16-10-5-3-6-11-16)27-28(20)17-12-7-4-8-13-17/h3-8,10-14H,2,9,15H2,1H3,(H,24,29)(H,23,25,26).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 418.53 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 24591647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).