2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H17F3N4O — CID 104693901

IUPAC2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCc1ccnn1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-8(10(19)16-7-11(12,13)14)15-5-3-9-4-6-17-18(9)2/h4,6,8,15H,3,5,7H2,1-2H3,(H,16,19)
InChIKeyJFQQWWPCURZPJQ-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.62
Rot. Bonds6

About 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 104693901) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID104693901
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCCc1ccnn1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-8(10(19)16-7-11(12,13)14)15-5-3-9-4-6-17-18(9)2/h4,6,8,15H,3,5,7H2,1-2H3,(H,16,19)
InChIKeyJFQQWWPCURZPJQ-UHFFFAOYSA-N
XLogP0.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)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 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 104693901) is 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCCc1ccnn1C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JFQQWWPCURZPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-8(10(19)16-7-11(12,13)14)15-5-3-9-4-6-17-18(9)2/h4,6,8,15H,3,5,7H2,1-2H3,(H,16,19).
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 278.28 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 104693901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).