N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide

C27H25ClFN3O2 — CID 154068932

About N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide (PubChem CID 154068932) has the molecular formula C27H25ClFN3O2 and a molecular weight of 477.97 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
• PubChem CID: 154068932
• Molecular Formula: C27H25ClFN3O2
• Molecular Weight: 477.97 g/mol
• Exact Mass: 477.16
• IUPAC Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide
• SMILES: COc1ccc(-n2nc(CCC(=O)N[C@H](C)c3cccc(Cl)c3)cc2-c2cccc(F)c2)cc1
• InChI: InChI=1S/C27H25ClFN3O2/c1-18(19-5-3-7-21(28)15-19)30-27(33)14-9-23-17-26(20-6-4-8-22(29)16-20)32(31-23)24-10-12-25(34-2)13-11-24/h3-8,10-13,15-18H,9,14H2,1-2H3,(H,30,33)/t18-/m1/s1
• InChIKey: JPKQEUDAWQWPIK-GOSISDBHSA-N
• XLogP: 6.15
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.97
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide (CID 154068932) is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide.

What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide is COc1ccc(-n2nc(CCC(=O)N[C@H](C)c3cccc(Cl)c3)cc2-c2cccc(F)c2)cc1.

What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

The InChIKey is JPKQEUDAWQWPIK-GOSISDBHSA-N. The full InChI is InChI=1S/C27H25ClFN3O2/c1-18(19-5-3-7-21(28)15-19)30-27(33)14-9-23-17-26(20-6-4-8-22(29)16-20)32(31-23)24-10-12-25(34-2)13-11-24/h3-8,10-13,15-18H,9,14H2,1-2H3,(H,30,33)/t18-/m1/s1.

What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide?

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide has a molecular weight of 477.97 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-[5-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 154068932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).