2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide

C23H30N4O3 — CID 8906631

About 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 8906631) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide
• PubChem CID: 8906631
• Molecular Formula: C23H30N4O3
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.23
• IUPAC Name: 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide
• SMILES: CCN(CC(=O)NC(C)C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1
• InChI: InChI=1S/C23H30N4O3/c1-5-26(14-22(28)24-16(2)3)15-23(29)27-20(21-7-6-12-30-21)13-19(25-27)18-10-8-17(4)9-11-18/h6-12,16,20H,5,13-15H2,1-4H3,(H,24,28)/t20-/m1/s1
• InChIKey: KFYNDLYPMXTXIF-HXUWFJFHSA-N
• XLogP: 3.11
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The IUPAC name of 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 8906631) is 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1.

What is the InChIKey of 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The InChIKey is KFYNDLYPMXTXIF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-5-26(14-22(28)24-16(2)3)15-23(29)27-20(21-7-6-12-30-21)13-19(25-27)18-10-8-17(4)9-11-18/h6-12,16,20H,5,13-15H2,1-4H3,(H,24,28)/t20-/m1/s1.

What are the key properties of 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 410.52 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8906631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).