sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide

C64H69BrN15NaO8 — CID 160808745

IUPACsodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide
SMILESCCNN.CCn1nc(-c2ccccc2)cc1N.CCn1nc(-c2ccccc2)cc1Nc1cnccc1C(=O)O.CCn1nc(-c2ccccc2)cc1Nc1cnccc1C(=O)OC.COC(=O)c1ccncc1Br.N#CCC(=O)c1ccccc1.[Na+].[OH-]
InChIInChI=1S/C18H18N4O2.C17H16N4O2.C11H13N3.C9H7NO.C7H6BrNO2.C2H8N2.Na.H2O/c1-3-22-17(11-15(21-22)13-7-5-4-6-8-13)20-16-12-19-10-9-14(16)18(23)24-2;1-2-21-16(10-14(20-21)12-6-4-3-5-7-12)19-15-11-18-9-8-13(15)17(22)23;1-2-14-11(12)8-10(13-14)9-6-4-3-5-7-9;10-7-6-9(11)8-4-2-1-3-5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-2-4-3;;/h4-12,20H,3H2,1-2H3;3-11,19H,2H2,1H3,(H,22,23);3-8H,2,12H2,1H3;1-5H,6H2;2-4H,1H3;4H,2-3H2,1H3;;1H2/q;;;;;;+1;/p-1
InChIKeySEARJBWJEUDOPY-UHFFFAOYSA-M
MW1279.25 g/mol
LogP8.76
Rot. Bonds16

About sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide

sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide (PubChem CID 160808745) has the molecular formula C64H69BrN15NaO8 and a molecular weight of 1279.25 g/mol. Its IUPAC name is sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide.

Molecular Properties

Compound Namesodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide
PubChem CID160808745
Molecular FormulaC64H69BrN15NaO8
Molecular Weight1279.25 g/mol
Exact Mass1277.45
IUPAC Namesodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide
SMILESCCNN.CCn1nc(-c2ccccc2)cc1N.CCn1nc(-c2ccccc2)cc1Nc1cnccc1C(=O)O.CCn1nc(-c2ccccc2)cc1Nc1cnccc1C(=O)OC.COC(=O)c1ccncc1Br.N#CCC(=O)c1ccccc1.[Na+].[OH-]
InChIInChI=1S/C18H18N4O2.C17H16N4O2.C11H13N3.C9H7NO.C7H6BrNO2.C2H8N2.Na.H2O/c1-3-22-17(11-15(21-22)13-7-5-4-6-8-13)20-16-12-19-10-9-14(16)18(23)24-2;1-2-21-16(10-14(20-21)12-6-4-3-5-7-12)19-15-11-18-9-8-13(15)17(22)23;1-2-14-11(12)8-10(13-14)9-6-4-3-5-7-9;10-7-6-9(11)8-4-2-1-3-5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-2-4-3;;/h4-12,20H,3H2,1-2H3;3-11,19H,2H2,1H3,(H,22,23);3-8H,2,12H2,1H3;1-5H,6H2;2-4H,1H3;4H,2-3H2,1H3;;1H2/q;;;;;;+1;/p-1
InChIKeySEARJBWJEUDOPY-UHFFFAOYSA-M
XLogP8.76
TPSA341.02 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001279.25
LogP ≤ 58.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide?
The IUPAC name of sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide (CID 160808745) is sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide.
What is the SMILES notation for sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide?
The canonical SMILES for sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide is CCNN.CCn1nc(-c2ccccc2)cc1N.CCn1nc(-c2ccccc2)cc1Nc1cnccc1C(=O)O.CCn1nc(-c2ccccc2)cc1Nc1cnccc1C(=O)OC.COC(=O)c1ccncc1Br.N#CCC(=O)c1ccccc1.[Na+].[OH-].
What is the InChIKey of sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide?
The InChIKey is SEARJBWJEUDOPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18N4O2.C17H16N4O2.C11H13N3.C9H7NO.C7H6BrNO2.C2H8N2.Na.H2O/c1-3-22-17(11-15(21-22)13-7-5-4-6-8-13)20-16-12-19-10-9-14(16)18(23)24-2;1-2-21-16(10-14(20-21)12-6-4-3-5-7-12)19-15-11-18-9-8-13(15)17(22)23;1-2-14-11(12)8-10(13-14)9-6-4-3-5-7-9;10-7-6-9(11)8-4-2-1-3-5-8;1-11-7(10)5-2-3-9-4-6(5)8;1-2-4-3;;/h4-12,20H,3H2,1-2H3;3-11,19H,2H2,1H3,(H,22,23);3-8H,2,12H2,1H3;1-5H,6H2;2-4H,1H3;4H,2-3H2,1H3;;1H2/q;;;;;;+1;/p-1.
What are the key properties of sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide?
sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide has a molecular weight of 1279.25 g/mol, XLogP of 8.76, 16 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethylhydrazine;1-ethyl-3-phenylpyrazol-5-amine;3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylic acid;methyl 3-bromopyridine-4-carboxylate;methyl 3-[(1-ethyl-3-phenylpyrazol-5-yl)amino]pyridine-4-carboxylate;3-oxo-3-phenylpropanenitrile;hydroxide is sourced from PubChem (CID 160808745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).