N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide

C25H25ClN4O3 — CID 55893349

About N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide

N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide (PubChem CID 55893349) has the molecular formula C25H25ClN4O3 and a molecular weight of 464.95 g/mol. Its IUPAC name is N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide.

Molecular Properties

• Compound Name: N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide
• PubChem CID: 55893349
• Molecular Formula: C25H25ClN4O3
• Molecular Weight: 464.95 g/mol
• Exact Mass: 464.16
• IUPAC Name: N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide
• SMILES: CCC(=O)Nc1ccc(C)c(NCC(=O)N2N=C(c3ccc(Cl)cc3)CC2c2ccco2)c1
• InChI: InChI=1S/C25H25ClN4O3/c1-3-24(31)28-19-11-6-16(2)20(13-19)27-15-25(32)30-22(23-5-4-12-33-23)14-21(29-30)17-7-9-18(26)10-8-17/h4-13,22,27H,3,14-15H2,1-2H3,(H,28,31)
• InChIKey: BSOROMWKJTVGQA-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 86.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.95
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide (CID 55893349) is N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide.

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

The canonical SMILES for N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NCC(=O)N2N=C(c3ccc(Cl)cc3)CC2c2ccco2)c1.

What is the InChIKey of N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide?

The InChIKey is BSOROMWKJTVGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3/c1-3-24(31)28-19-11-6-16(2)20(13-19)27-15-25(32)30-22(23-5-4-12-33-23)14-21(29-30)17-7-9-18(26)10-8-17/h4-13,22,27H,3,14-15H2,1-2H3,(H,28,31).

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

N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide has a molecular weight of 464.95 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 55893349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).