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

C39H49BrCl4N11NaO3 — CID 163529918

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

sodium;bromoethane;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;2-methylpropan-2-olate;hydrochloride (PubChem CID 163529918) has the molecular formula C39H49BrCl4N11NaO3 and a molecular weight of 964.60 g/mol. Its IUPAC name is sodium;bromoethane;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;2-methylpropan-2-olate;hydrochloride.

Molecular Properties

• Compound Name: sodium;bromoethane;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;2-methylpropan-2-olate;hydrochloride
• PubChem CID: 163529918
• Molecular Formula: C39H49BrCl4N11NaO3
• Molecular Weight: 964.60 g/mol
• Exact Mass: 961.19
• IUPAC Name: sodium;bromoethane;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;2-methylpropan-2-olate;hydrochloride
• SMILES: CC(=O)Cc1cn(-c2cccnc2)nc1Cl.CC(C)(C)[O-].CCBr.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.CCNc1cn(-c2cccnc2)nc1Cl.Cl.[Na+]
• InChI: InChI=1S/C12H13ClN4O.C11H10ClN3O.C10H11ClN4.C4H9O.C2H5Br.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;1-2-13-9-7-15(14-10(9)11)8-4-3-5-12-6-8;1-4(2,3)5;1-2-3;;/h4-8H,3H2,1-2H3;2-4,6-7H,5H2,1H3;3-7,13H,2H2,1H3;1-3H3;2H2,1H3;1H;/q;;;-1;;;+1
• InChIKey: GJKRNWSTHPCNGA-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 164.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	964.60
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of sodium;bromoethane;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;2-methylpropan-2-olate;hydrochloride (CID 163529918) is sodium;bromoethane;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;2-methylpropan-2-olate;hydrochloride.

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

The canonical SMILES for sodium;bromoethane;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;2-methylpropan-2-olate;hydrochloride is CC(=O)Cc1cn(-c2cccnc2)nc1Cl.CC(C)(C)[O-].CCBr.CCN(C(C)=O)c1cn(-c2cccnc2)nc1Cl.CCNc1cn(-c2cccnc2)nc1Cl.Cl.[Na+].

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

The InChIKey is GJKRNWSTHPCNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O.C11H10ClN3O.C10H11ClN4.C4H9O.C2H5Br.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;1-2-13-9-7-15(14-10(9)11)8-4-3-5-12-6-8;1-4(2,3)5;1-2-3;;/h4-8H,3H2,1-2H3;2-4,6-7H,5H2,1H3;3-7,13H,2H2,1H3;1-3H3;2H2,1H3;1H;/q;;;-1;;;+1.

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

sodium;bromoethane;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;2-methylpropan-2-olate;hydrochloride has a molecular weight of 964.60 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bromoethane;3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylacetamide;1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;2-methylpropan-2-olate;hydrochloride is sourced from PubChem (CID 163529918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).