(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide

C13H20F3N3O2 — CID 95601626

IUPAC(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)[C@@H](C)OCC(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-7(2)19-9(4)11(8(3)18-19)17-12(20)10(5)21-6-13(14,15)16/h7,10H,6H2,1-5H3,(H,17,20)/t10-/m1/s1
InChIKeyQMCZCMLERMIVLA-SNVBAGLBSA-N
MW307.32 g/mol
LogP2.99
Rot. Bonds5

About (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 95601626) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID95601626
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)[C@@H](C)OCC(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-7(2)19-9(4)11(8(3)18-19)17-12(20)10(5)21-6-13(14,15)16/h7,10H,6H2,1-5H3,(H,17,20)/t10-/m1/s1
InChIKeyQMCZCMLERMIVLA-SNVBAGLBSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide 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 (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 95601626) is (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide is Cc1nn(C(C)C)c(C)c1NC(=O)[C@@H](C)OCC(F)(F)F.
What is the InChIKey of (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QMCZCMLERMIVLA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-7(2)19-9(4)11(8(3)18-19)17-12(20)10(5)21-6-13(14,15)16/h7,10H,6H2,1-5H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 307.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 95601626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).