2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C21H25ClN4O3 — CID 55387403

About 2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 55387403) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
• PubChem CID: 55387403
• Molecular Formula: C21H25ClN4O3
• Molecular Weight: 416.91 g/mol
• Exact Mass: 416.16
• IUPAC Name: 2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)CN(C)CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
• InChI: InChI=1S/C21H25ClN4O3/c1-14(2)23-20(27)12-25(3)13-21(28)26-18(19-5-4-10-29-19)11-17(24-26)15-6-8-16(22)9-7-15/h4-10,14,18H,11-13H2,1-3H3,(H,23,27)
• InChIKey: HYQAGGFBBHRCFH-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.91
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 55387403) is 2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

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

The canonical SMILES for 2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1.

What is the InChIKey of 2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?

The InChIKey is HYQAGGFBBHRCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c1-14(2)23-20(27)12-25(3)13-21(28)26-18(19-5-4-10-29-19)11-17(24-26)15-6-8-16(22)9-7-15/h4-10,14,18H,11-13H2,1-3H3,(H,23,27).

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

2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 416.91 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55387403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).