1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone

C22H24F3N3O3 — CID 31479338

About 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone

1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 31479338) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
• PubChem CID: 31479338
• Molecular Formula: C22H24F3N3O3
• Molecular Weight: 435.45 g/mol
• Exact Mass: 435.18
• IUPAC Name: 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
• SMILES: COc1ccc(C2=NN(C(=O)CN3CCC[C@H](C(F)(F)F)C3)[C@@H](c3ccco3)C2)cc1
• InChI: InChI=1S/C22H24F3N3O3/c1-30-17-8-6-15(7-9-17)18-12-19(20-5-3-11-31-20)28(26-18)21(29)14-27-10-2-4-16(13-27)22(23,24)25/h3,5-9,11,16,19H,2,4,10,12-14H2,1H3/t16-,19+/m0/s1
• InChIKey: GKMAPZZLSYXNRP-QFBILLFUSA-N
• XLogP: 4.24
• TPSA: 58.28 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.45
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?

The IUPAC name of 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 31479338) is 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?

The canonical SMILES for 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone is COc1ccc(C2=NN(C(=O)CN3CCC[C@H](C(F)(F)F)C3)[C@@H](c3ccco3)C2)cc1.

What is the InChIKey of 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?

The InChIKey is GKMAPZZLSYXNRP-QFBILLFUSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-30-17-8-6-15(7-9-17)18-12-19(20-5-3-11-31-20)28(26-18)21(29)14-27-10-2-4-16(13-27)22(23,24)25/h3,5-9,11,16,19H,2,4,10,12-14H2,1H3/t16-,19+/m0/s1.

What are the key properties of 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone?

1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 435.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 31479338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).