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

C21H25ClN4O3 — CID 9302999

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

2-[[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 9302999) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-[[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide
• PubChem CID: 9302999
• Molecular Formula: C21H25ClN4O3
• Molecular Weight: 416.91 g/mol
• Exact Mass: 416.16
• IUPAC Name: 2-[[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide
• SMILES: CCCNC(=O)CN(C)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1
• InChI: InChI=1S/C21H25ClN4O3/c1-3-10-23-20(27)13-25(2)14-21(28)26-18(19-5-4-11-29-19)12-17(24-26)15-6-8-16(22)9-7-15/h4-9,11,18H,3,10,12-14H2,1-2H3,(H,23,27)/t18-/m1/s1
• InChIKey: HBIKFWJUBODOEQ-GOSISDBHSA-N
• XLogP: 3.07
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• 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-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide?

The IUPAC name of 2-[[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide (CID 9302999) is 2-[[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide.

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

The canonical SMILES for 2-[[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1.

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

The InChIKey is HBIKFWJUBODOEQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c1-3-10-23-20(27)13-25(2)14-21(28)26-18(19-5-4-11-29-19)12-17(24-26)15-6-8-16(22)9-7-15/h4-9,11,18H,3,10,12-14H2,1-2H3,(H,23,27)/t18-/m1/s1.

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

2-[[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 416.91 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9302999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).