N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

C32H34ClFN4O3 — CID 51067798

About N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide

N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 51067798) has the molecular formula C32H34ClFN4O3 and a molecular weight of 577.10 g/mol. Its IUPAC name is N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 51067798
• Molecular Formula: C32H34ClFN4O3
• Molecular Weight: 577.10 g/mol
• Exact Mass: 576.23
• IUPAC Name: N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3F)C(c3ccccc3Cl)C2)cc1C
• InChI: InChI=1S/C32H34ClFN4O3/c1-22-11-12-24(19-23(22)2)29-20-30(25-7-3-5-9-27(25)33)38(35-29)31(39)21-37(14-13-36-15-17-41-18-16-36)32(40)26-8-4-6-10-28(26)34/h3-12,19,30H,13-18,20-21H2,1-2H3
• InChIKey: VJWFRMSRAMKJTQ-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 65.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.10
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 51067798) is N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

What is the SMILES notation for N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?

The canonical SMILES for N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)c3ccccc3F)C(c3ccccc3Cl)C2)cc1C.

What is the InChIKey of N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is VJWFRMSRAMKJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClFN4O3/c1-22-11-12-24(19-23(22)2)29-20-30(25-7-3-5-9-27(25)33)38(35-29)31(39)21-37(14-13-36-15-17-41-18-16-36)32(40)26-8-4-6-10-28(26)34/h3-12,19,30H,13-18,20-21H2,1-2H3.

What are the key properties of N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide?

N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 577.10 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 51067798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).