2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

C16H22N4O2 — CID 56781849

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCc1cc(C)n(C2CN(CC(=O)N(C)Cc3ccco3)C2)n1
InChIInChI=1S/C16H22N4O2/c1-12-7-13(2)20(17-12)14-8-19(9-14)11-16(21)18(3)10-15-5-4-6-22-15/h4-7,14H,8-11H2,1-3H3
InChIKeyRSLLVMBNDHVQIN-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.61
Rot. Bonds5

About 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide

2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (PubChem CID 56781849) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
PubChem CID56781849
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
SMILESCc1cc(C)n(C2CN(CC(=O)N(C)Cc3ccco3)C2)n1
InChIInChI=1S/C16H22N4O2/c1-12-7-13(2)20(17-12)14-8-19(9-14)11-16(21)18(3)10-15-5-4-6-22-15/h4-7,14H,8-11H2,1-3H3
InChIKeyRSLLVMBNDHVQIN-UHFFFAOYSA-N
XLogP1.61
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide (CID 56781849) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide is Cc1cc(C)n(C2CN(CC(=O)N(C)Cc3ccco3)C2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
The InChIKey is RSLLVMBNDHVQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-7-13(2)20(17-12)14-8-19(9-14)11-16(21)18(3)10-15-5-4-6-22-15/h4-7,14H,8-11H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide has a molecular weight of 302.38 g/mol, XLogP of 1.61, 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-(furan-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 56781849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).