1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide

C14H22N4O2S — CID 46942562

IUPAC1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide
SMILESCSCCNC(=O)C1(C)CCN1C(=O)c1cc(C)n(C)n1
InChIInChI=1S/C14H22N4O2S/c1-10-9-11(16-17(10)3)12(19)18-7-5-14(18,2)13(20)15-6-8-21-4/h9H,5-8H2,1-4H3,(H,15,20)
InChIKeyVGNNBHDKBWHXNX-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.81
Rot. Bonds5

About 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide

1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide (PubChem CID 46942562) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide
PubChem CID46942562
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide
SMILESCSCCNC(=O)C1(C)CCN1C(=O)c1cc(C)n(C)n1
InChIInChI=1S/C14H22N4O2S/c1-10-9-11(16-17(10)3)12(19)18-7-5-14(18,2)13(20)15-6-8-21-4/h9H,5-8H2,1-4H3,(H,15,20)
InChIKeyVGNNBHDKBWHXNX-UHFFFAOYSA-N
XLogP0.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide 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 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide?
The IUPAC name of 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide (CID 46942562) is 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide.
What is the SMILES notation for 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide?
The canonical SMILES for 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide is CSCCNC(=O)C1(C)CCN1C(=O)c1cc(C)n(C)n1.
What is the InChIKey of 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide?
The InChIKey is VGNNBHDKBWHXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-10-9-11(16-17(10)3)12(19)18-7-5-14(18,2)13(20)15-6-8-21-4/h9H,5-8H2,1-4H3,(H,15,20).
What are the key properties of 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide?
1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazole-3-carbonyl)-2-methyl-N-(2-methylsulfanylethyl)azetidine-2-carboxamide is sourced from PubChem (CID 46942562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).