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;pentane;hydrochloride

C41H53BrCl4N10O2 — CID 159173490

About 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;pentane;hydrochloride

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;pentane;hydrochloride (PubChem CID 159173490) has the molecular formula C41H53BrCl4N10O2 and a molecular weight of 939.66 g/mol. Its IUPAC name is 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;pentane;hydrochloride.

Molecular Properties

• Compound Name: 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;pentane;hydrochloride
• PubChem CID: 159173490
• Molecular Formula: C41H53BrCl4N10O2
• Molecular Weight: 939.66 g/mol
• Exact Mass: 936.23
• IUPAC Name: 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;pentane;hydrochloride
• SMILES: CC(=O)Cc1cn(-c2cccnc2)nc1Cl.CCBr.CCCCC.CCCc1cn(-c2cccnc2)nc1Cl.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.Cl
• InChI: InChI=1S/C12H13ClN4O.C11H10ClN3O.C11H12ClN3.C5H12.C2H5Br.ClH/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;1-3-5-4-2;1-2-3;/h4-8H,3H2,1-2H3;2-4,6-7H,5H2,1H3;3,5-8H,2,4H2,1H3;3-5H2,1-2H3;2H2,1H3;1H
• InChIKey: QYHLSHBWRPZOEY-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 129.51 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	939.66
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;pentane;hydrochloride?

The IUPAC name of 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;pentane;hydrochloride (CID 159173490) is 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;pentane;hydrochloride.

What is the SMILES notation for 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;pentane;hydrochloride?

The canonical SMILES for 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;pentane;hydrochloride is CC(=O)Cc1cn(-c2cccnc2)nc1Cl.CCBr.CCCCC.CCCc1cn(-c2cccnc2)nc1Cl.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.Cl.

What is the InChIKey of 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;pentane;hydrochloride?

The InChIKey is QYHLSHBWRPZOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O.C11H10ClN3O.C11H12ClN3.C5H12.C2H5Br.ClH/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;1-3-5-4-2;1-2-3;/h4-8H,3H2,1-2H3;2-4,6-7H,5H2,1H3;3,5-8H,2,4H2,1H3;3-5H2,1-2H3;2H2,1H3;1H.

What are the key properties of 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;pentane;hydrochloride?

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;pentane;hydrochloride has a molecular weight of 939.66 g/mol, XLogP of 11.24, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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;pentane;hydrochloride is sourced from PubChem (CID 159173490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).