2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C16H22N4OS — CID 56781789

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1cc(C)n(C2CN(CC(=O)N(C)Cc3ccsc3)C2)n1
InChIInChI=1S/C16H22N4OS/c1-12-6-13(2)20(17-12)15-8-19(9-15)10-16(21)18(3)7-14-4-5-22-11-14/h4-6,11,15H,7-10H2,1-3H3
InChIKeyPQLAIHJMUMFFLF-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.08
Rot. Bonds5

About 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 56781789) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID56781789
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1cc(C)n(C2CN(CC(=O)N(C)Cc3ccsc3)C2)n1
InChIInChI=1S/C16H22N4OS/c1-12-6-13(2)20(17-12)15-8-19(9-15)10-16(21)18(3)7-14-4-5-22-11-14/h4-6,11,15H,7-10H2,1-3H3
InChIKeyPQLAIHJMUMFFLF-UHFFFAOYSA-N
XLogP2.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 56781789) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is Cc1cc(C)n(C2CN(CC(=O)N(C)Cc3ccsc3)C2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is PQLAIHJMUMFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-6-13(2)20(17-12)15-8-19(9-15)10-16(21)18(3)7-14-4-5-22-11-14/h4-6,11,15H,7-10H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 318.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 56781789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).