3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide

C16H25F3N4O — CID 154760217

IUPAC3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide
SMILESCc1nn(C)c(C)c1C(NC(=O)N1CC(C(C)(C)C)C1)C(F)(F)F
InChIInChI=1S/C16H25F3N4O/c1-9-12(10(2)22(6)21-9)13(16(17,18)19)20-14(24)23-7-11(8-23)15(3,4)5/h11,13H,7-8H2,1-6H3,(H,20,24)
InChIKeyYBEQOIJYIGHQAS-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.33
Rot. Bonds2

About 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide

3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide (PubChem CID 154760217) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide
PubChem CID154760217
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide
SMILESCc1nn(C)c(C)c1C(NC(=O)N1CC(C(C)(C)C)C1)C(F)(F)F
InChIInChI=1S/C16H25F3N4O/c1-9-12(10(2)22(6)21-9)13(16(17,18)19)20-14(24)23-7-11(8-23)15(3,4)5/h11,13H,7-8H2,1-6H3,(H,20,24)
InChIKeyYBEQOIJYIGHQAS-UHFFFAOYSA-N
XLogP3.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-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 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide (CID 154760217) is 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide is Cc1nn(C)c(C)c1C(NC(=O)N1CC(C(C)(C)C)C1)C(F)(F)F.
What is the InChIKey of 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide?
The InChIKey is YBEQOIJYIGHQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-9-12(10(2)22(6)21-9)13(16(17,18)19)20-14(24)23-7-11(8-23)15(3,4)5/h11,13H,7-8H2,1-6H3,(H,20,24).
What are the key properties of 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide?
3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 154760217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).