2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide

C32H34ClFN4O5 — CID 83275471

About 2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide

2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 83275471) has the molecular formula C32H34ClFN4O5 and a molecular weight of 609.10 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 83275471
• Molecular Formula: C32H34ClFN4O5
• Molecular Weight: 609.10 g/mol
• Exact Mass: 608.22
• IUPAC Name: 2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: COc1ccc(C2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)cc1OC
• InChI: InChI=1S/C32H34ClFN4O5/c1-41-29-12-9-23(19-30(29)42-2)28-20-27(22-7-10-24(34)11-8-22)35-38(28)31(39)21-37(14-13-36-15-17-43-18-16-36)32(40)25-5-3-4-6-26(25)33/h3-12,19,28H,13-18,20-21H2,1-2H3
• InChIKey: OOKAPCDBZPKPLM-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 83.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.10
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 83275471) is 2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide.

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

The canonical SMILES for 2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(C2CC(c3ccc(F)cc3)=NN2C(=O)CN(CCN2CCOCC2)C(=O)c2ccccc2Cl)cc1OC.

What is the InChIKey of 2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is OOKAPCDBZPKPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClFN4O5/c1-41-29-12-9-23(19-30(29)42-2)28-20-27(22-7-10-24(34)11-8-22)35-38(28)31(39)21-37(14-13-36-15-17-43-18-16-36)32(40)25-5-3-4-6-26(25)33/h3-12,19,28H,13-18,20-21H2,1-2H3.

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

2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 609.10 g/mol, XLogP of 4.65, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 83275471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).