N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide

C28H33FN4O4 — CID 93132756

About N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide

N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide (PubChem CID 93132756) has the molecular formula C28H33FN4O4 and a molecular weight of 508.59 g/mol. Its IUPAC name is N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
• PubChem CID: 93132756
• Molecular Formula: C28H33FN4O4
• Molecular Weight: 508.59 g/mol
• Exact Mass: 508.25
• IUPAC Name: N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
• SMILES: COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1
• InChI: InChI=1S/C28H33FN4O4/c1-36-26-9-5-3-7-22(26)25-18-24(21-6-2-4-8-23(21)29)30-33(25)27(34)19-32(28(35)20-10-11-20)13-12-31-14-16-37-17-15-31/h2-9,20,25H,10-19H2,1H3/t25-/m0/s1
• InChIKey: FQQCDSGRLMRDQZ-VWLOTQADSA-N
• XLogP: 3.08
• TPSA: 74.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.59
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide (CID 93132756) is N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide.

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

The canonical SMILES for N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide is COc1ccccc1[C@@H]1CC(c2ccccc2F)=NN1C(=O)CN(CCN1CCOCC1)C(=O)C1CC1.

What is the InChIKey of N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?

The InChIKey is FQQCDSGRLMRDQZ-VWLOTQADSA-N. The full InChI is InChI=1S/C28H33FN4O4/c1-36-26-9-5-3-7-22(26)25-18-24(21-6-2-4-8-23(21)29)30-33(25)27(34)19-32(28(35)20-10-11-20)13-12-31-14-16-37-17-15-31/h2-9,20,25H,10-19H2,1H3/t25-/m0/s1.

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

N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide has a molecular weight of 508.59 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3S)-5-(2-fluorophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 93132756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).