5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide

C24H17ClF6N6O2 — CID 11606605

About 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide

5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide (PubChem CID 11606605) has the molecular formula C24H17ClF6N6O2 and a molecular weight of 570.88 g/mol. Its IUPAC name is 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
• PubChem CID: 11606605
• Molecular Formula: C24H17ClF6N6O2
• Molecular Weight: 570.88 g/mol
• Exact Mass: 570.10
• IUPAC Name: 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
• SMILES: N#CCN(C(=O)N1CCC(n2cc(Cl)cn2)C(c2cccc(C(F)(F)F)c2)=N1)c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C24H17ClF6N6O2/c25-17-13-33-37(14-17)20-8-10-36(34-21(20)15-2-1-3-16(12-15)23(26,27)28)22(38)35(11-9-32)18-4-6-19(7-5-18)39-24(29,30)31/h1-7,12-14,20H,8,10-11H2
• InChIKey: NATYWURUUQBZSQ-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 86.75 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.88
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?

The IUPAC name of 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide (CID 11606605) is 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide.

What is the SMILES notation for 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?

The canonical SMILES for 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide is N#CCN(C(=O)N1CCC(n2cc(Cl)cn2)C(c2cccc(C(F)(F)F)c2)=N1)c1ccc(OC(F)(F)F)cc1.

What is the InChIKey of 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?

The InChIKey is NATYWURUUQBZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF6N6O2/c25-17-13-33-37(14-17)20-8-10-36(34-21(20)15-2-1-3-16(12-15)23(26,27)28)22(38)35(11-9-32)18-4-6-19(7-5-18)39-24(29,30)31/h1-7,12-14,20H,8,10-11H2.

What are the key properties of 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide?

5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide has a molecular weight of 570.88 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloropyrazol-1-yl)-N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]-6-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide is sourced from PubChem (CID 11606605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).