dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide

C63H73BrCl3Li2N17O13 — CID 161147309

About dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide

dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide (PubChem CID 161147309) has the molecular formula C63H73BrCl3Li2N17O13 and a molecular weight of 1476.53 g/mol. Its IUPAC name is dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide
• PubChem CID: 161147309
• Molecular Formula: C63H73BrCl3Li2N17O13
• Molecular Weight: 1476.53 g/mol
• Exact Mass: 1473.41
• IUPAC Name: dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide
• SMILES: CC(C)(C)OC(=O)N1CCOC(CN)C1.COC(=O)c1nn(C)cc1NC(=O)c1cccc(-c2cn[nH]c2)c1.COC(=O)c1nn(C)cc1NC(=O)c1cccc(-c2cnn(CCCl)c2)c1.ClCCBr.Cn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)c2)c(C(=O)[O-])n1.[Li+].[Li+].[OH-]
• InChI: InChI=1S/C18H18ClN5O3.C17H16ClN5O3.C16H15N5O3.C10H20N2O3.C2H4BrCl.2Li.H2O/c1-23-11-15(16(22-23)18(26)27-2)21-17(25)13-5-3-4-12(8-13)14-9-20-24(10-14)7-6-19;1-22-10-14(15(21-22)17(25)26)20-16(24)12-4-2-3-11(7-12)13-8-19-23(9-13)6-5-18;1-21-9-13(14(20-21)16(23)24-2)19-15(22)11-5-3-4-10(6-11)12-7-17-18-8-12;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;3-1-2-4;;;/h3-5,8-11H,6-7H2,1-2H3,(H,21,25);2-4,7-10H,5-6H2,1H3,(H,20,24)(H,25,26);3-9H,1-2H3,(H,17,18)(H,19,22);8H,4-7,11H2,1-3H3;1-2H2;;;1H2/q;;;;;2*+1;/p-2
• InChIKey: XRAKTQNNBHHFHC-UHFFFAOYSA-L
• XLogP: 1.58
• TPSA: 392.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1476.53
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide?

The IUPAC name of dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide (CID 161147309) is dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide.

What is the SMILES notation for dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide?

The canonical SMILES for dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide is CC(C)(C)OC(=O)N1CCOC(CN)C1.COC(=O)c1nn(C)cc1NC(=O)c1cccc(-c2cn[nH]c2)c1.COC(=O)c1nn(C)cc1NC(=O)c1cccc(-c2cnn(CCCl)c2)c1.ClCCBr.Cn1cc(NC(=O)c2cccc(-c3cnn(CCCl)c3)c2)c(C(=O)[O-])n1.[Li+].[Li+].[OH-].

What is the InChIKey of dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide?

The InChIKey is XRAKTQNNBHHFHC-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H18ClN5O3.C17H16ClN5O3.C16H15N5O3.C10H20N2O3.C2H4BrCl.2Li.H2O/c1-23-11-15(16(22-23)18(26)27-2)21-17(25)13-5-3-4-12(8-13)14-9-20-24(10-14)7-6-19;1-22-10-14(15(21-22)17(25)26)20-16(24)12-4-2-3-11(7-12)13-8-19-23(9-13)6-5-18;1-21-9-13(14(20-21)16(23)24-2)19-15(22)11-5-3-4-10(6-11)12-7-17-18-8-12;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;3-1-2-4;;;/h3-5,8-11H,6-7H2,1-2H3,(H,21,25);2-4,7-10H,5-6H2,1H3,(H,20,24)(H,25,26);3-9H,1-2H3,(H,17,18)(H,19,22);8H,4-7,11H2,1-3H3;1-2H2;;;1H2/q;;;;;2*+1;/p-2.

What are the key properties of dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide?

dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide has a molecular weight of 1476.53 g/mol, XLogP of 1.58, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide is sourced from PubChem (CID 161147309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).