2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide

C15H20N4OS — CID 56780791

IUPAC2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide
SMILESCc1cnn(C2CN(CC(=O)NCCc3ccsc3)C2)c1
InChIInChI=1S/C15H20N4OS/c1-12-6-17-19(7-12)14-8-18(9-14)10-15(20)16-4-2-13-3-5-21-11-13/h3,5-7,11,14H,2,4,8-10H2,1H3,(H,16,20)
InChIKeyQHXSPGDSGJCODR-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.47
Rot. Bonds6

About 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide

2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide (PubChem CID 56780791) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide
PubChem CID56780791
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide
SMILESCc1cnn(C2CN(CC(=O)NCCc3ccsc3)C2)c1
InChIInChI=1S/C15H20N4OS/c1-12-6-17-19(7-12)14-8-18(9-14)10-15(20)16-4-2-13-3-5-21-11-13/h3,5-7,11,14H,2,4,8-10H2,1H3,(H,16,20)
InChIKeyQHXSPGDSGJCODR-UHFFFAOYSA-N
XLogP1.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide (CID 56780791) is 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide is Cc1cnn(C2CN(CC(=O)NCCc3ccsc3)C2)c1.
What is the InChIKey of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide?
The InChIKey is QHXSPGDSGJCODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-12-6-17-19(7-12)14-8-18(9-14)10-15(20)16-4-2-13-3-5-21-11-13/h3,5-7,11,14H,2,4,8-10H2,1H3,(H,16,20).
What are the key properties of 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide?
2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 56780791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).