sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride

C41H54BrCl4N10NaO3 — CID 158796307

About sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride

sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride (PubChem CID 158796307) has the molecular formula C41H54BrCl4N10NaO3 and a molecular weight of 979.66 g/mol. Its IUPAC name is sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride.

Molecular Properties

• Compound Name: sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride
• PubChem CID: 158796307
• Molecular Formula: C41H54BrCl4N10NaO3
• Molecular Weight: 979.66 g/mol
• Exact Mass: 976.22
• IUPAC Name: sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride
• SMILES: C.CC(=O)Cc1cn(-c2cccnc2)nc1Cl.CC(C)(C)[O-].CCBr.CCCc1cn(-c2cccnc2)nc1Cl.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.Cl.[Na+]
• InChI: InChI=1S/C12H13ClN4O.C11H10ClN3O.C11H12ClN3.C4H9O.C2H5Br.CH4.ClH.Na/c1-3-16(9(2)18)11-8-17(15-12(11)13)10-5-4-6-14-7-10;1-8(16)5-9-7-15(14-11(9)12)10-3-2-4-13-6-10;1-2-4-9-8-15(14-11(9)12)10-5-3-6-13-7-10;1-4(2,3)5;1-2-3;;;/h4-8H,3H2,1-2H3;2-4,6-7H,5H2,1H3;3,5-8H,2,4H2,1H3;1-3H3;2H2,1H3;1H4;1H;/q;;;-1;;;;+1
• InChIKey: PMAZUFBGAJRKTK-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 152.57 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	979.66
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride?

The IUPAC name of sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride (CID 158796307) is sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride.

What is the SMILES notation for sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride?

The canonical SMILES for sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride is C.CC(=O)Cc1cn(-c2cccnc2)nc1Cl.CC(C)(C)[O-].CCBr.CCCc1cn(-c2cccnc2)nc1Cl.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.Cl.[Na+].

What is the InChIKey of sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride?

The InChIKey is PMAZUFBGAJRKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O.C11H10ClN3O.C11H12ClN3.C4H9O.C2H5Br.CH4.ClH.Na/c1-3-16(9(2)18)11-8-17(15-12(11)13)10-5-4-6-14-7-10;1-8(16)5-9-7-15(14-11(9)12)10-3-2-4-13-6-10;1-2-4-9-8-15(14-11(9)12)10-5-3-6-13-7-10;1-4(2,3)5;1-2-3;;;/h4-8H,3H2,1-2H3;2-4,6-7H,5H2,1H3;3,5-8H,2,4H2,1H3;1-3H3;2H2,1H3;1H4;1H;/q;;;-1;;;;+1.

What are the key properties of sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride?

sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride has a molecular weight of 979.66 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bromoethane;3-(3-chloro-4-propylpyrazol-1-yl)pyridine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane;2-methylpropan-2-olate;hydrochloride is sourced from PubChem (CID 158796307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).