N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C17H20F3N7O — CID 19563758

About N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19563758) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• PubChem CID: 19563758
• Molecular Formula: C17H20F3N7O
• Molecular Weight: 395.39 g/mol
• Exact Mass: 395.17
• IUPAC Name: N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
• SMILES: CCn1cc(Cn2cc(NC(=O)CCn3nc(C(F)(F)F)cc3C)cn2)cn1
• InChI: InChI=1S/C17H20F3N7O/c1-3-25-9-13(7-21-25)10-26-11-14(8-22-26)23-16(28)4-5-27-12(2)6-15(24-27)17(18,19)20/h6-9,11H,3-5,10H2,1-2H3,(H,23,28)
• InChIKey: YNTMSSZXVAEIDH-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 82.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.39
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The IUPAC name of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19563758) is N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

What is the SMILES notation for N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The canonical SMILES for N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CCn1cc(Cn2cc(NC(=O)CCn3nc(C(F)(F)F)cc3C)cn2)cn1.

What is the InChIKey of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

The InChIKey is YNTMSSZXVAEIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7O/c1-3-25-9-13(7-21-25)10-26-11-14(8-22-26)23-16(28)4-5-27-12(2)6-15(24-27)17(18,19)20/h6-9,11H,3-5,10H2,1-2H3,(H,23,28).

What are the key properties of N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?

N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 395.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19563758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).