N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide

C13H20F3N3O2 — CID 2801302

IUPACN-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide
SMILESCn1nc(OC(C)(C)C(=O)NC(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-11(2,3)17-10(20)12(4,5)21-9-7-8(13(14,15)16)19(6)18-9/h7H,1-6H3,(H,17,20)
InChIKeyVHAHXJNLZVTJSK-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.51
Rot. Bonds3

About N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide

N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide (PubChem CID 2801302) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide
PubChem CID2801302
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide
SMILESCn1nc(OC(C)(C)C(=O)NC(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-11(2,3)17-10(20)12(4,5)21-9-7-8(13(14,15)16)19(6)18-9/h7H,1-6H3,(H,17,20)
InChIKeyVHAHXJNLZVTJSK-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide 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 N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide?
The IUPAC name of N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide (CID 2801302) is N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide.
What is the SMILES notation for N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide?
The canonical SMILES for N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide is Cn1nc(OC(C)(C)C(=O)NC(C)(C)C)cc1C(F)(F)F.
What is the InChIKey of N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide?
The InChIKey is VHAHXJNLZVTJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-11(2,3)17-10(20)12(4,5)21-9-7-8(13(14,15)16)19(6)18-9/h7H,1-6H3,(H,17,20).
What are the key properties of N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide?
N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide has a molecular weight of 307.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypropanamide is sourced from PubChem (CID 2801302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).