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

C19H17N7OS — CID 2097711

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESNc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n[nH]1
InChIInChI=1S/C19H17N7OS/c20-18-22-19(24-23-18)28-12-17(27)21-16-11-15(13-7-3-1-4-8-13)25-26(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,27)(H3,20,22,23,24)
InChIKeyNNJKBEZMZWMYFM-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.97
Rot. Bonds6

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide (PubChem CID 2097711) has the molecular formula C19H17N7OS and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide
PubChem CID2097711
Molecular FormulaC19H17N7OS
Molecular Weight391.46 g/mol
Exact Mass391.12
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESNc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n[nH]1
InChIInChI=1S/C19H17N7OS/c20-18-22-19(24-23-18)28-12-17(27)21-16-11-15(13-7-3-1-4-8-13)25-26(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,27)(H3,20,22,23,24)
InChIKeyNNJKBEZMZWMYFM-UHFFFAOYSA-N
XLogP2.97
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)-6-phenylpyrimidin-2-ylthio)phenyl)propionamide
CID 10113529
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
CID 3243974
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
CID 4189771
N-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)-6-phenylpyrimidin-2-ylthio)phenyl)acetamide
CID 10273410
P-gp inhibitor 29
CID 17555821
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
CID 6273781
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide
CID 2083940
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide
CID 2083948
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 2106259
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 2113128
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863
N-(4-ethylphenyl)-2-[[5-(1H-indazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2359310

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide (CID 2097711) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide is Nc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The InChIKey is NNJKBEZMZWMYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS/c20-18-22-19(24-23-18)28-12-17(27)21-16-11-15(13-7-3-1-4-8-13)25-26(16)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,27)(H3,20,22,23,24).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide has a molecular weight of 391.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-diphenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 2097711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).