3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide

C23H25ClN4O3 — CID 55957713

About 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide

3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide (PubChem CID 55957713) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 55957713
• Molecular Formula: C23H25ClN4O3
• Molecular Weight: 440.93 g/mol
• Exact Mass: 440.16
• IUPAC Name: 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide
• SMILES: CCC(NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1ccccc1OCC(=O)N(C)C
• InChI: InChI=1S/C23H25ClN4O3/c1-4-18(17-10-5-6-11-21(17)31-14-22(29)28(2)3)25-23(30)20-13-19(26-27-20)15-8-7-9-16(24)12-15/h5-13,18H,4,14H2,1-3H3,(H,25,30)(H,26,27)
• InChIKey: MJYODRZFKVJBFJ-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.93
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide (CID 55957713) is 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide is CCC(NC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1ccccc1OCC(=O)N(C)C.

What is the InChIKey of 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide?

The InChIKey is MJYODRZFKVJBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-4-18(17-10-5-6-11-21(17)31-14-22(29)28(2)3)25-23(30)20-13-19(26-27-20)15-8-7-9-16(24)12-15/h5-13,18H,4,14H2,1-3H3,(H,25,30)(H,26,27).

What are the key properties of 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide?

3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55957713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).