2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide

C15H17N7O — CID 169421466

IUPAC2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)n1nccc1-c1nc(CC(N)=O)nn1-c1cccnc1
InChIInChI=1S/C15H17N7O/c1-10(2)21-12(5-7-18-21)15-19-14(8-13(16)23)20-22(15)11-4-3-6-17-9-11/h3-7,9-10H,8H2,1-2H3,(H2,16,23)
InChIKeyGOMJGKLPMBHLOD-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.13
Rot. Bonds5

About 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide

2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide (PubChem CID 169421466) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide
PubChem CID169421466
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)n1nccc1-c1nc(CC(N)=O)nn1-c1cccnc1
InChIInChI=1S/C15H17N7O/c1-10(2)21-12(5-7-18-21)15-19-14(8-13(16)23)20-22(15)11-4-3-6-17-9-11/h3-7,9-10H,8H2,1-2H3,(H2,16,23)
InChIKeyGOMJGKLPMBHLOD-UHFFFAOYSA-N
XLogP1.13
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-[5-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide
CID 131929652
2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide
CID 131932550
ethyl 3,5-dimethyl-1-pyridin-3-ylpyrazole-4-carboxylate
CID 171564003
2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzamide
CID 130308299
2-(1-pyridin-3-yltetrazol-5-yl)sulfanylacetamide
CID 6460651
2-[3-(3-phenylpropyl)-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-1-yl]ethanol
CID 164699442
N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 71205995
ethyl 1-propan-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 163398875
2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
CID 146039964
5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67119556
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
2-[5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 146037996

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide (CID 169421466) is 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide is CC(C)n1nccc1-c1nc(CC(N)=O)nn1-c1cccnc1.
What is the InChIKey of 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is GOMJGKLPMBHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10(2)21-12(5-7-18-21)15-19-14(8-13(16)23)20-22(15)11-4-3-6-17-9-11/h3-7,9-10H,8H2,1-2H3,(H2,16,23).
What are the key properties of 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide?
2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 311.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-propan-2-ylpyrazol-3-yl)-1-pyridin-3-yl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 169421466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).