N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide

C23H34N6O2 — CID 142929839

About N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide

N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide (PubChem CID 142929839) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide
• PubChem CID: 142929839
• Molecular Formula: C23H34N6O2
• Molecular Weight: 426.57 g/mol
• Exact Mass: 426.27
• IUPAC Name: N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide
• SMILES: C=C(/C=N/C(=C\C)COC)N1NC(C(=O)NCCN(C)CC)C=C1c1cccc(C)n1
• InChI: InChI=1S/C23H34N6O2/c1-7-19(16-31-6)25-15-18(4)29-22(20-11-9-10-17(3)26-20)14-21(27-29)23(30)24-12-13-28(5)8-2/h7,9-11,14-15,21,27H,4,8,12-13,16H2,1-3,5-6H3,(H,24,30)/b19-7-,25-15+
• InChIKey: BPZPDSMFGXMAQE-LTLICKDWSA-N
• XLogP: 2.12
• TPSA: 82.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.57
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide?

The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide (CID 142929839) is N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide.

What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide?

The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide is C=C(/C=N/C(=C\C)COC)N1NC(C(=O)NCCN(C)CC)C=C1c1cccc(C)n1.

What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide?

The InChIKey is BPZPDSMFGXMAQE-LTLICKDWSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-7-19(16-31-6)25-15-18(4)29-22(20-11-9-10-17(3)26-20)14-21(27-29)23(30)24-12-13-28(5)8-2/h7,9-11,14-15,21,27H,4,8,12-13,16H2,1-3,5-6H3,(H,24,30)/b19-7-,25-15+.

What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide?

N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide has a molecular weight of 426.57 g/mol, XLogP of 2.12, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[ethyl(methyl)amino]ethyl]-2-[3-[(Z)-1-methoxybut-2-en-2-yl]iminoprop-1-en-2-yl]-3-(6-methyl-2-pyridinyl)-1,5-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 142929839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).