N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide

C16H22F3N7O — CID 69083959

About N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide

N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide (PubChem CID 69083959) has the molecular formula C16H22F3N7O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
• PubChem CID: 69083959
• Molecular Formula: C16H22F3N7O
• Molecular Weight: 385.39 g/mol
• Exact Mass: 385.18
• IUPAC Name: N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
• SMILES: CCNC(=O)C(C)(C)n1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1
• InChI: InChI=1S/C16H22F3N7O/c1-6-21-13(27)15(3,4)26-8-11(9(2)25-26)23-14-22-7-10(16(17,18)19)12(20-5)24-14/h7-8H,6H2,1-5H3,(H,21,27)(H2,20,22,23,24)
• InChIKey: RZHUFHGNDAWQOJ-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 96.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.39
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?

The IUPAC name of N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide (CID 69083959) is N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide.

What is the SMILES notation for N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?

The canonical SMILES for N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide is CCNC(=O)C(C)(C)n1cc(Nc2ncc(C(F)(F)F)c(NC)n2)c(C)n1.

What is the InChIKey of N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?

The InChIKey is RZHUFHGNDAWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N7O/c1-6-21-13(27)15(3,4)26-8-11(9(2)25-26)23-14-22-7-10(16(17,18)19)12(20-5)24-14/h7-8H,6H2,1-5H3,(H,21,27)(H2,20,22,23,24).

What are the key properties of N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide?

N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide has a molecular weight of 385.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 69083959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).