N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide

C17H18N8OS — CID 138384694

IUPACN-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCNC(=O)Cc1nc(-c2cc(-c3cccs3)nn2C)n(-c2cnn(C)c2)n1
InChIInChI=1S/C17H18N8OS/c1-18-16(26)8-15-20-17(25(22-15)11-9-19-23(2)10-11)13-7-12(21-24(13)3)14-5-4-6-27-14/h4-7,9-10H,8H2,1-3H3,(H,18,26)
InChIKeyNXRPWHVEHAYAAM-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.42
Rot. Bonds5

About N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide

N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 138384694) has the molecular formula C17H18N8OS and a molecular weight of 382.45 g/mol. Its IUPAC name is N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID138384694
Molecular FormulaC17H18N8OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC NameN-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCNC(=O)Cc1nc(-c2cc(-c3cccs3)nn2C)n(-c2cnn(C)c2)n1
InChIInChI=1S/C17H18N8OS/c1-18-16(26)8-15-20-17(25(22-15)11-9-19-23(2)10-11)13-7-12(21-24(13)3)14-5-4-6-27-14/h4-7,9-10H,8H2,1-3H3,(H,18,26)
InChIKeyNXRPWHVEHAYAAM-UHFFFAOYSA-N
XLogP1.42
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 146045139
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
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
3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 54596542
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 156585119
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040519
1-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 131909926
ethyl 1-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)piperidine-4-carboxylate
CID 42762142
methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate
CID 116895161

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide (CID 138384694) is N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide is CNC(=O)Cc1nc(-c2cc(-c3cccs3)nn2C)n(-c2cnn(C)c2)n1.
What is the InChIKey of N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is NXRPWHVEHAYAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8OS/c1-18-16(26)8-15-20-17(25(22-15)11-9-19-23(2)10-11)13-7-12(21-24(13)3)14-5-4-6-27-14/h4-7,9-10H,8H2,1-3H3,(H,18,26).
What are the key properties of N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide?
N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 382.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(1-methylpyrazol-4-yl)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 138384694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).