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

C13H20F3N3O2 — CID 56823799

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)C(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)
InChIKeyQMCZCMLERMIVLA-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.99
Rot. Bonds5

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

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 56823799) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID56823799
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)C(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)
InChIKeyQMCZCMLERMIVLA-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 56823799) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 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(C)OCC(F)(F)F.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QMCZCMLERMIVLA-UHFFFAOYSA-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).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
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 N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 56823799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).