3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide

C₂₁H₁₆F₆N₄O — CID 177050621

About 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide

3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide (PubChem CID 177050621) has the molecular formula C₂₁H₁₆F₆N₄O and a molecular weight of 454.37 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
• PubChem CID: 177050621
• Molecular Formula: C₂₁H₁₆F₆N₄O
• Molecular Weight: 454.37 g/mol
• Exact Mass: 454.12
• IUPAC Name: 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide
• SMILES: Cc1cc(C(=O)NC2CCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)cc(C(F)(F)F)c1
• InChI: InChI=1S/C21H16F6N4O/c1-11-6-12(8-13(7-11)20(22,23)24)19(32)29-16-2-3-17-15(16)10-31(30-17)14-4-5-28-18(9-14)21(25,26)27/h4-10,16H,2-3H2,1H3,(H,29,32)
• InChIKey: VUWOGZXRSRZUES-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.37
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide?

The IUPAC name of 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide (CID 177050621) is 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide.

What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide?

The canonical SMILES for 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide is Cc1cc(C(=O)NC2CCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)cc(C(F)(F)F)c1.

What is the InChIKey of 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide?

The InChIKey is VUWOGZXRSRZUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N4O/c1-11-6-12(8-13(7-11)20(22,23)24)19(32)29-16-2-3-17-15(16)10-31(30-17)14-4-5-28-18(9-14)21(25,26)27/h4-10,16H,2-3H2,1H3,(H,29,32).

What are the key properties of 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide?

3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide has a molecular weight of 454.37 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]benzamide is sourced from PubChem (CID 177050621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177050621 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.