lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide

C80H90ClF12LiN22O10 — CID 164962680

About lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide

lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide (PubChem CID 164962680) has the molecular formula C80H90ClF12LiN22O10 and a molecular weight of 1790.11 g/mol. Its IUPAC name is lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide.

Molecular Properties

• Compound Name: lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide
• PubChem CID: 164962680
• Molecular Formula: C80H90ClF12LiN22O10
• Molecular Weight: 1790.11 g/mol
• Exact Mass: 1788.69
• IUPAC Name: lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide
• SMILES: C1COCCN1.CCOC(=O)c1cc2c(Cl)nc(C)cn2n1.CCOC(=O)c1cc2c(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)nc(C)cn2n1.C[C@@H](N)c1cc(N)cc(C(F)(F)F)c1.Cc1cn2nc(C(=O)N3CCOCC3)cc2c(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)n1.Cc1cn2nc(C(=O)O)cc2c(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)n1.[Li+].[OH-]
• InChI: InChI=1S/C21H23F3N6O2.C19H20F3N5O2.C17H16F3N5O2.C10H10ClN3O2.C9H11F3N2.C4H9NO.Li.H2O/c1-12-11-30-18(10-17(28-30)20(31)29-3-5-32-6-4-29)19(26-12)27-13(2)14-7-15(21(22,23)24)9-16(25)8-14;1-4-29-18(28)15-8-16-17(24-10(2)9-27(16)26-15)25-11(3)12-5-13(19(20,21)22)7-14(23)6-12;1-8-7-25-14(6-13(24-25)16(26)27)15(22-8)23-9(2)10-3-11(17(18,19)20)5-12(21)4-10;1-3-16-10(15)7-4-8-9(11)12-6(2)5-14(8)13-7;1-5(13)6-2-7(9(10,11)12)4-8(14)3-6;1-3-6-4-2-5-1;;/h7-11,13H,3-6,25H2,1-2H3,(H,26,27);5-9,11H,4,23H2,1-3H3,(H,24,25);3-7,9H,21H2,1-2H3,(H,22,23)(H,26,27);4-5H,3H2,1-2H3;2-5H,13-14H2,1H3;5H,1-4H2;;1H2/q;;;;;;+1;/p-1/t13-;11-;9-;;5-;;;/m111.1.../s1
• InChIKey: CBBXUFWDARAUNN-GBGDWNLISA-M
• XLogP: 11.39
• TPSA: 457.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1790.11
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide?

The IUPAC name of lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide (CID 164962680) is lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide.

What is the SMILES notation for lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide?

The canonical SMILES for lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide is C1COCCN1.CCOC(=O)c1cc2c(Cl)nc(C)cn2n1.CCOC(=O)c1cc2c(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)nc(C)cn2n1.C[C@@H](N)c1cc(N)cc(C(F)(F)F)c1.Cc1cn2nc(C(=O)N3CCOCC3)cc2c(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)n1.Cc1cn2nc(C(=O)O)cc2c(N[C@H](C)c2cc(N)cc(C(F)(F)F)c2)n1.[Li+].[OH-].

What is the InChIKey of lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide?

The InChIKey is CBBXUFWDARAUNN-GBGDWNLISA-M. The full InChI is InChI=1S/C21H23F3N6O2.C19H20F3N5O2.C17H16F3N5O2.C10H10ClN3O2.C9H11F3N2.C4H9NO.Li.H2O/c1-12-11-30-18(10-17(28-30)20(31)29-3-5-32-6-4-29)19(26-12)27-13(2)14-7-15(21(22,23)24)9-16(25)8-14;1-4-29-18(28)15-8-16-17(24-10(2)9-27(16)26-15)25-11(3)12-5-13(19(20,21)22)7-14(23)6-12;1-8-7-25-14(6-13(24-25)16(26)27)15(22-8)23-9(2)10-3-11(17(18,19)20)5-12(21)4-10;1-3-16-10(15)7-4-8-9(11)12-6(2)5-14(8)13-7;1-5(13)6-2-7(9(10,11)12)4-8(14)3-6;1-3-6-4-2-5-1;;/h7-11,13H,3-6,25H2,1-2H3,(H,26,27);5-9,11H,4,23H2,1-3H3,(H,24,25);3-7,9H,21H2,1-2H3,(H,22,23)(H,26,27);4-5H,3H2,1-2H3;2-5H,13-14H2,1H3;5H,1-4H2;;1H2/q;;;;;;+1;/p-1/t13-;11-;9-;;5-;;;/m111.1.../s1.

What are the key properties of lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide?

lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide has a molecular weight of 1790.11 g/mol, XLogP of 11.39, 16 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone;ethyl 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 4-chloro-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylate;morpholine;hydroxide is sourced from PubChem (CID 164962680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).