3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol

C30H35Cl5N4O3 — CID 157384513

About 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol

3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol (PubChem CID 157384513) has the molecular formula C30H35Cl5N4O3 and a molecular weight of 676.90 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol.

Molecular Properties

• Compound Name: 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol
• PubChem CID: 157384513
• Molecular Formula: C30H35Cl5N4O3
• Molecular Weight: 676.90 g/mol
• Exact Mass: 674.12
• IUPAC Name: 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol
• SMILES: CCc1c(CCl)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1.CCc1c(CO)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C15H17Cl3N2O.C15H18Cl2N2O2/c1-4-13-14(8-16)19-20(9(2)3)15(13)21-12-6-10(17)5-11(18)7-12;1-4-13-14(8-20)18-19(9(2)3)15(13)21-12-6-10(16)5-11(17)7-12/h5-7,9H,4,8H2,1-3H3;5-7,9,20H,4,8H2,1-3H3
• InChIKey: BLGRNBUZVIEIFQ-UHFFFAOYSA-N
• XLogP: 10.48
• TPSA: 74.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.90
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol?

The IUPAC name of 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol (CID 157384513) is 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol.

What is the SMILES notation for 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol?

The canonical SMILES for 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol is CCc1c(CCl)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1.CCc1c(CO)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1.

What is the InChIKey of 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol?

The InChIKey is BLGRNBUZVIEIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl3N2O.C15H18Cl2N2O2/c1-4-13-14(8-16)19-20(9(2)3)15(13)21-12-6-10(17)5-11(18)7-12;1-4-13-14(8-20)18-19(9(2)3)15(13)21-12-6-10(16)5-11(17)7-12/h5-7,9H,4,8H2,1-3H3;5-7,9,20H,4,8H2,1-3H3.

What are the key properties of 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol?

3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol has a molecular weight of 676.90 g/mol, XLogP of 10.48, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(chloromethyl)-5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazole;[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]methanol is sourced from PubChem (CID 157384513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).