2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide

C15H21N3O2S — CID 71971323

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1nn(C)c(C)c1OCC(=O)Nc1sc(C)c(C)c1C
InChIInChI=1S/C15H21N3O2S/c1-8-9(2)15(21-12(8)5)16-13(19)7-20-14-10(3)17-18(6)11(14)4/h7H2,1-6H3,(H,16,19)
InChIKeyZNIVIGYJXJBPCV-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.04
Rot. Bonds4

About 2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide

2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide (PubChem CID 71971323) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide
PubChem CID71971323
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1nn(C)c(C)c1OCC(=O)Nc1sc(C)c(C)c1C
InChIInChI=1S/C15H21N3O2S/c1-8-9(2)15(21-12(8)5)16-13(19)7-20-14-10(3)17-18(6)11(14)4/h7H2,1-6H3,(H,16,19)
InChIKeyZNIVIGYJXJBPCV-UHFFFAOYSA-N
XLogP3.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119384708
N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119498514
N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 120568365
2-(2,3,4,5,6-pentachlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78811961
N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119433105
N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 166217948
N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 122143501
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid
CID 119347085
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 120881617
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119526824
2-[(R)-(4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 96524185

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide (CID 71971323) is 2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide is Cc1nn(C)c(C)c1OCC(=O)Nc1sc(C)c(C)c1C.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The InChIKey is ZNIVIGYJXJBPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-8-9(2)15(21-12(8)5)16-13(19)7-20-14-10(3)17-18(6)11(14)4/h7H2,1-6H3,(H,16,19).
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 71971323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).