5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C20H19F3N6O3 — CID 140861992

About 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 140861992) has the molecular formula C20H19F3N6O3 and a molecular weight of 448.41 g/mol. Its IUPAC name is 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 140861992
• Molecular Formula: C20H19F3N6O3
• Molecular Weight: 448.41 g/mol
• Exact Mass: 448.15
• IUPAC Name: 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: CCc1nn(-c2ccccc2OCC(N)=O)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C20H19F3N6O3/c1-2-12-17(19(31)27-16-8-7-11(9-26-16)20(21,22)23)18(25)29(28-12)13-5-3-4-6-14(13)32-10-15(24)30/h3-9H,2,10,25H2,1H3,(H2,24,30)(H,26,27,31)
• InChIKey: RIAPZNGEDJROGJ-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 138.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.41
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 140861992) is 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CCc1nn(-c2ccccc2OCC(N)=O)c(N)c1C(=O)Nc1ccc(C(F)(F)F)cn1.

What is the InChIKey of 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is RIAPZNGEDJROGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3/c1-2-12-17(19(31)27-16-8-7-11(9-26-16)20(21,22)23)18(25)29(28-12)13-5-3-4-6-14(13)32-10-15(24)30/h3-9H,2,10,25H2,1H3,(H2,24,30)(H,26,27,31).

What are the key properties of 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 448.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-[2-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 140861992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).