methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

C32H31Cl3F6N6O6 — CID 158658688

About methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole

methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (PubChem CID 158658688) has the molecular formula C32H31Cl3F6N6O6 and a molecular weight of 815.98 g/mol. Its IUPAC name is methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.

Molecular Properties

• Compound Name: methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
• PubChem CID: 158658688
• Molecular Formula: C32H31Cl3F6N6O6
• Molecular Weight: 815.98 g/mol
• Exact Mass: 814.13
• IUPAC Name: methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
• SMILES: COC(=O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl.COC(=O)c1cnc(Cl)cc1Cl.FC(F)(F)C1(CCOc2ccn[nH]2)CC1
• InChI: InChI=1S/C16H15ClF3N3O3.C9H11F3N2O.C7H5Cl2NO2/c1-25-14(24)10-9-21-12(8-11(10)17)23-6-2-13(22-23)26-7-5-15(3-4-15)16(18,19)20;10-9(11,12)8(2-3-8)4-6-15-7-1-5-13-14-7;1-12-7(11)4-3-10-6(9)2-5(4)8/h2,6,8-9H,3-5,7H2,1H3;1,5H,2-4,6H2,(H,13,14);2-3H,1H3
• InChIKey: ICMBKBMANZKGJJ-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 143.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	815.98
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?

The IUPAC name of methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole (CID 158658688) is methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole.

What is the SMILES notation for methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?

The canonical SMILES for methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is COC(=O)c1cnc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)cc1Cl.COC(=O)c1cnc(Cl)cc1Cl.FC(F)(F)C1(CCOc2ccn[nH]2)CC1.

What is the InChIKey of methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?

The InChIKey is ICMBKBMANZKGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3.C9H11F3N2O.C7H5Cl2NO2/c1-25-14(24)10-9-21-12(8-11(10)17)23-6-2-13(22-23)26-7-5-15(3-4-15)16(18,19)20;10-9(11,12)8(2-3-8)4-6-15-7-1-5-13-14-7;1-12-7(11)4-3-10-6(9)2-5(4)8/h2,6,8-9H,3-5,7H2,1H3;1,5H,2-4,6H2,(H,13,14);2-3H,1H3.

What are the key properties of methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole?

methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole has a molecular weight of 815.98 g/mol, XLogP of 8.51, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate;5-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole is sourced from PubChem (CID 158658688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).