N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

C18H23N7OS — CID 46482489

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1nc2nc(SCC(=O)Nc3ccnn3C3CCCC3)nn2c(C)c1C
InChIInChI=1S/C18H23N7OS/c1-11-12(2)20-17-22-18(23-24(17)13(11)3)27-10-16(26)21-15-8-9-19-25(15)14-6-4-5-7-14/h8-9,14H,4-7,10H2,1-3H3,(H,21,26)
InChIKeyKWWGVGPTIUCDKM-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.09
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 46482489) has the molecular formula C18H23N7OS and a molecular weight of 385.50 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID46482489
Molecular FormulaC18H23N7OS
Molecular Weight385.50 g/mol
Exact Mass385.17
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1nc2nc(SCC(=O)Nc3ccnn3C3CCCC3)nn2c(C)c1C
InChIInChI=1S/C18H23N7OS/c1-11-12(2)20-17-22-18(23-24(17)13(11)3)27-10-16(26)21-15-8-9-19-25(15)14-6-4-5-7-14/h8-9,14H,4-7,10H2,1-3H3,(H,21,26)
InChIKeyKWWGVGPTIUCDKM-UHFFFAOYSA-N
XLogP3.09
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
N-cyclopentyl-2-[[2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 55737763
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432
2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
N-(2,3-dichlorophenyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 55737730
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78778300
N-(2-cyclohexylpyrazol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 134037686
2-(benzhydrylamino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8596124
N-(methylcarbamoyl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 46482446
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 8771027
N-(2-cyclopentylpyrazol-3-yl)-2-(4-ethoxyanilino)acetamide
CID 78815624
N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 39949423

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (CID 46482489) is N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is Cc1nc2nc(SCC(=O)Nc3ccnn3C3CCCC3)nn2c(C)c1C.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is KWWGVGPTIUCDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7OS/c1-11-12(2)20-17-22-18(23-24(17)13(11)3)27-10-16(26)21-15-8-9-19-25(15)14-6-4-5-7-14/h8-9,14H,4-7,10H2,1-3H3,(H,21,26).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 385.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 46482489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).