3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide

C14H17F3N6O — CID 146142868

About 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide

3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 146142868) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide
• PubChem CID: 146142868
• Molecular Formula: C14H17F3N6O
• Molecular Weight: 342.33 g/mol
• Exact Mass: 342.14
• IUPAC Name: 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide
• SMILES: CNc1cc(-n2nc(C)cc2NC(=O)C(C)(C)C(F)(F)F)ncn1
• InChI: InChI=1S/C14H17F3N6O/c1-8-5-11(21-12(24)13(2,3)14(15,16)17)23(22-8)10-6-9(18-4)19-7-20-10/h5-7H,1-4H3,(H,21,24)(H,18,19,20)
• InChIKey: LXEHGAHHLYMPAI-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.33
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide?

The IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide (CID 146142868) is 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide.

What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide?

The canonical SMILES for 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide is CNc1cc(-n2nc(C)cc2NC(=O)C(C)(C)C(F)(F)F)ncn1.

What is the InChIKey of 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide?

The InChIKey is LXEHGAHHLYMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-8-5-11(21-12(24)13(2,3)14(15,16)17)23(22-8)10-6-9(18-4)19-7-20-10/h5-7H,1-4H3,(H,21,24)(H,18,19,20).

What are the key properties of 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide?

3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 342.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-2,2-dimethyl-N-[5-methyl-2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 146142868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).