1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone

C22H19ClN2O3 — CID 7777998

About 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone

1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone (PubChem CID 7777998) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone
• PubChem CID: 7777998
• Molecular Formula: C22H19ClN2O3
• Molecular Weight: 394.86 g/mol
• Exact Mass: 394.11
• IUPAC Name: 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone
• SMILES: Cc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1
• InChI: InChI=1S/C22H19ClN2O3/c1-15-5-2-3-6-20(15)28-14-22(26)25-19(21-7-4-12-27-21)13-18(24-25)16-8-10-17(23)11-9-16/h2-12,19H,13-14H2,1H3/t19-/m1/s1
• InChIKey: HZOXKVOQOOFYIU-LJQANCHMSA-N
• XLogP: 5.00
• TPSA: 55.04 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.86
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone?

The IUPAC name of 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone (CID 7777998) is 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone.

What is the SMILES notation for 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone?

The canonical SMILES for 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1.

What is the InChIKey of 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone?

The InChIKey is HZOXKVOQOOFYIU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-15-5-2-3-6-20(15)28-14-22(26)25-19(21-7-4-12-27-21)13-18(24-25)16-8-10-17(23)11-9-16/h2-12,19H,13-14H2,1H3/t19-/m1/s1.

What are the key properties of 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone?

1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone has a molecular weight of 394.86 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 7777998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).