lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate

C142H145BrF24LiN25O25Sn — CID 158459413

About lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate

lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate (PubChem CID 158459413) has the molecular formula C142H145BrF24LiN25O25Sn and a molecular weight of 3263.38 g/mol. Its IUPAC name is lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate
• PubChem CID: 158459413
• Molecular Formula: C142H145BrF24LiN25O25Sn
• Molecular Weight: 3263.38 g/mol
• Exact Mass: 3261.88
• IUPAC Name: lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate
• SMILES: CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(N)cn1.CCCC[Sn](CCC)(CCCC)c1ccccn1.CCOC(=O)C(C)C(=O)OCC.CCOC(=O)C1=NOC(=O)C1C.CCOC(=O)c1noc(-c2ccccn2)c1C.CCOC(=O)c1noc(Br)c1C.Cc1c(C(=O)Nc2cnn(C(C)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)noc1-c1ccccn1.Cc1c(C(=O)Nc2cnn([C@@H](C)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)noc1-c1ccccn1.Cc1c(C(=O)Nc2cnn([C@H](C)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)noc1-c1ccccn1.Cc1c(C(=O)O)noc1-c1ccccn1.O.[Li+].[OH-]
• InChI: InChI=1S/3C23H17F6N5O2.C13H11F6N3.C12H12N2O3.C10H8N2O3.C8H14O4.C7H8BrNO3.C7H9NO4.C5H4N.2C4H9.C3H7.Li.2H2O.Sn/c3*1-12-19(33-36-20(12)18-5-3-4-8-30-18)21(35)32-15-10-31-34(11-15)13(2)16-7-6-14(22(24,25)26)9-17(16)23(27,28)29;1-7(22-6-9(20)5-21-22)10-3-2-8(12(14,15)16)4-11(10)13(17,18)19;1-3-16-12(15)10-8(2)11(17-14-10)9-6-4-5-7-13-9;1-6-8(10(13)14)12-15-9(6)7-4-2-3-5-11-7;1-4-11-7(9)6(3)8(10)12-5-2;1-3-11-7(10)5-4(2)6(8)12-9-5;1-3-11-7(10)5-4(2)6(9)12-8-5;1-2-4-6-5-3-1;2*1-3-4-2;1-3-2;;;;/h3*3-11,13H,1-2H3,(H,32,35);2-7H,20H2,1H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,13,14);6H,4-5H2,1-3H3;3H2,1-2H3;4H,3H2,1-2H3;1-4H;2*1,3-4H2,2H3;1,3H2,2H3;;2*1H2;/q;;;;;;;;;;;;;+1;;;/p-1/t2*13-;;;;;;;;;;;;;;;/m10.............../s1
• InChIKey: IGOURJRUSMBEQX-RZHQNJCASA-M
• XLogP: 30.02
• TPSA: 687.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 45
• Rotatable Bonds: 39
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3263.38
LogP ≤ 5	30.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate?

The IUPAC name of lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate (CID 158459413) is lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate.

What is the SMILES notation for lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate?

The canonical SMILES for lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate is CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(N)cn1.CCCC[Sn](CCC)(CCCC)c1ccccn1.CCOC(=O)C(C)C(=O)OCC.CCOC(=O)C1=NOC(=O)C1C.CCOC(=O)c1noc(-c2ccccn2)c1C.CCOC(=O)c1noc(Br)c1C.Cc1c(C(=O)Nc2cnn(C(C)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)noc1-c1ccccn1.Cc1c(C(=O)Nc2cnn([C@@H](C)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)noc1-c1ccccn1.Cc1c(C(=O)Nc2cnn([C@H](C)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)noc1-c1ccccn1.Cc1c(C(=O)O)noc1-c1ccccn1.O.[Li+].[OH-].

What is the InChIKey of lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate?

The InChIKey is IGOURJRUSMBEQX-RZHQNJCASA-M. The full InChI is InChI=1S/3C23H17F6N5O2.C13H11F6N3.C12H12N2O3.C10H8N2O3.C8H14O4.C7H8BrNO3.C7H9NO4.C5H4N.2C4H9.C3H7.Li.2H2O.Sn/c3*1-12-19(33-36-20(12)18-5-3-4-8-30-18)21(35)32-15-10-31-34(11-15)13(2)16-7-6-14(22(24,25)26)9-17(16)23(27,28)29;1-7(22-6-9(20)5-21-22)10-3-2-8(12(14,15)16)4-11(10)13(17,18)19;1-3-16-12(15)10-8(2)11(17-14-10)9-6-4-5-7-13-9;1-6-8(10(13)14)12-15-9(6)7-4-2-3-5-11-7;1-4-11-7(9)6(3)8(10)12-5-2;1-3-11-7(10)5-4(2)6(8)12-9-5;1-3-11-7(10)5-4(2)6(9)12-8-5;1-2-4-6-5-3-1;2*1-3-4-2;1-3-2;;;;/h3*3-11,13H,1-2H3,(H,32,35);2-7H,20H2,1H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,13,14);6H,4-5H2,1-3H3;3H2,1-2H3;4H,3H2,1-2H3;1-4H;2*1,3-4H2,2H3;1,3H2,2H3;;2*1H2;/q;;;;;;;;;;;;;+1;;;/p-1/t2*13-;;;;;;;;;;;;;;;/m10.............../s1.

What are the key properties of lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate?

lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate has a molecular weight of 3263.38 g/mol, XLogP of 30.02, 39 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;dibutyl-propyl-pyridin-2-ylstannane;diethyl 2-methylpropanedioate;ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-oxo-4H-1,2-oxazole-3-carboxylate;ethyl 4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylate;4-methyl-5-pyridin-2-yl-1,2-oxazole-3-carboxylic acid;hydroxide;hydrate is sourced from PubChem (CID 158459413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).