N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide

C25H22Cl2N4O3 — CID 42732527

About N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide

N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 42732527) has the molecular formula C25H22Cl2N4O3 and a molecular weight of 497.38 g/mol. Its IUPAC name is N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
• PubChem CID: 42732527
• Molecular Formula: C25H22Cl2N4O3
• Molecular Weight: 497.38 g/mol
• Exact Mass: 496.11
• IUPAC Name: N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
• SMILES: CC(C)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1)C(=O)c1ccco1
• InChI: InChI=1S/C25H22Cl2N4O3/c1-16(2)30(25(33)22-9-6-12-34-22)15-24(32)28-23-14-21(17-7-4-3-5-8-17)29-31(23)18-10-11-19(26)20(27)13-18/h3-14,16H,15H2,1-2H3,(H,28,32)
• InChIKey: DLYOOLSBFZWAOX-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.38
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide?

The IUPAC name of N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide (CID 42732527) is N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide.

What is the SMILES notation for N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide?

The canonical SMILES for N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1)C(=O)c1ccco1.

What is the InChIKey of N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide?

The InChIKey is DLYOOLSBFZWAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O3/c1-16(2)30(25(33)22-9-6-12-34-22)15-24(32)28-23-14-21(17-7-4-3-5-8-17)29-31(23)18-10-11-19(26)20(27)13-18/h3-14,16H,15H2,1-2H3,(H,28,32).

What are the key properties of N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide?

N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 497.38 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 42732527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).