(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone

C21H17ClN2O2 — CID 7179869

About (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone

(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 7179869) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

• Compound Name: (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
• PubChem CID: 7179869
• Molecular Formula: C21H17ClN2O2
• Molecular Weight: 364.83 g/mol
• Exact Mass: 364.10
• IUPAC Name: (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
• SMILES: Cc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@H](c3ccco3)C2)cc1
• InChI: InChI=1S/C21H17ClN2O2/c1-14-7-9-15(10-8-14)18-13-19(20-6-3-11-26-20)24(23-18)21(25)16-4-2-5-17(22)12-16/h2-12,19H,13H2,1H3/t19-/m0/s1
• InChIKey: GAYCSMRJYXITHU-IBGZPJMESA-N
• XLogP: 5.23
• TPSA: 45.81 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.83
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?

The IUPAC name of (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone (CID 7179869) is (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone.

What is the SMILES notation for (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?

The canonical SMILES for (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone is Cc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@H](c3ccco3)C2)cc1.

What is the InChIKey of (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?

The InChIKey is GAYCSMRJYXITHU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-14-7-9-15(10-8-14)18-13-19(20-6-3-11-26-20)24(23-18)21(25)16-4-2-5-17(22)12-16/h2-12,19H,13H2,1H3/t19-/m0/s1.

What are the key properties of (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone?

(3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone has a molecular weight of 364.83 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 7179869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).