4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide

C19H22F3N3O2 — CID 90615521

About 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide

4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide (PubChem CID 90615521) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
• PubChem CID: 90615521
• Molecular Formula: C19H22F3N3O2
• Molecular Weight: 381.40 g/mol
• Exact Mass: 381.17
• IUPAC Name: 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
• SMILES: CCCc1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)cc1
• InChI: InChI=1S/C19H22F3N3O2/c1-2-3-13-4-6-14(7-5-13)18(26)23-9-10-25-16-8-11-27-12-15(16)17(24-25)19(20,21)22/h4-7H,2-3,8-12H2,1H3,(H,23,26)
• InChIKey: MRFFXQKHPJFIMQ-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.40
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?

The IUPAC name of 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide (CID 90615521) is 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide.

What is the SMILES notation for 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?

The canonical SMILES for 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide is CCCc1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCOC3)cc1.

What is the InChIKey of 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?

The InChIKey is MRFFXQKHPJFIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-2-3-13-4-6-14(7-5-13)18(26)23-9-10-25-16-8-11-27-12-15(16)17(24-25)19(20,21)22/h4-7H,2-3,8-12H2,1H3,(H,23,26).

What are the key properties of 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide?

4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide has a molecular weight of 381.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 90615521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).