bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide

C100H127Cl2N15O16 — CID 162166096

IUPACbis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(C)cc1)c1cc(C)n(C)n1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(C)cc1)c1ccn(C(C)C)n1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1-c1ccccc1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1-c1ccccc1.Cc1ccc(C[C@H](c2ccnn2C(C)C)[C@@H](CC(=O)NO)OCCCO)cc1
InChIInChI=1S/2C21H22ClN3O3.C21H31N3O4.C19H27N3O3.C18H25N3O3/c2*1-28-20(14-21(26)24-27)18(13-15-7-9-16(22)10-8-15)19-11-12-23-25(19)17-5-3-2-4-6-17;1-15(2)24-19(9-10-22-24)18(13-17-7-5-16(3)6-8-17)20(14-21(26)23-27)28-12-4-11-25;1-13(2)22-10-9-17(20-22)16(18(25-4)12-19(23)21-24)11-15-7-5-14(3)6-8-15;1-12-5-7-14(8-6-12)10-15(16-9-13(2)21(3)19-16)17(24-4)11-18(22)20-23/h2*2-12,18,20,27H,13-14H2,1H3,(H,24,26);5-10,15,18,20,25,27H,4,11-14H2,1-3H3,(H,23,26);5-10,13,16,18,24H,11-12H2,1-4H3,(H,21,23);5-9,15,17,23H,10-11H2,1-4H3,(H,20,22)/t3*18-,20-;16-,18-;15-,17-/m11111/s1
InChIKeyZNDMMZAHNBYVQH-RFLFLAAGSA-N
MW1866.11 g/mol
LogP15.57
Rot. Bonds42

About bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide

bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide (PubChem CID 162166096) has the molecular formula C100H127Cl2N15O16 and a molecular weight of 1866.11 g/mol. Its IUPAC name is bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Namebis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide
PubChem CID162166096
Molecular FormulaC100H127Cl2N15O16
Molecular Weight1866.11 g/mol
Exact Mass1863.90
IUPAC Namebis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(C)cc1)c1cc(C)n(C)n1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(C)cc1)c1ccn(C(C)C)n1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1-c1ccccc1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1-c1ccccc1.Cc1ccc(C[C@H](c2ccnn2C(C)C)[C@@H](CC(=O)NO)OCCCO)cc1
InChIInChI=1S/2C21H22ClN3O3.C21H31N3O4.C19H27N3O3.C18H25N3O3/c2*1-28-20(14-21(26)24-27)18(13-15-7-9-16(22)10-8-15)19-11-12-23-25(19)17-5-3-2-4-6-17;1-15(2)24-19(9-10-22-24)18(13-17-7-5-16(3)6-8-17)20(14-21(26)23-27)28-12-4-11-25;1-13(2)22-10-9-17(20-22)16(18(25-4)12-19(23)21-24)11-15-7-5-14(3)6-8-15;1-12-5-7-14(8-6-12)10-15(16-9-13(2)21(3)19-16)17(24-4)11-18(22)20-23/h2*2-12,18,20,27H,13-14H2,1H3,(H,24,26);5-10,15,18,20,25,27H,4,11-14H2,1-3H3,(H,23,26);5-10,13,16,18,24H,11-12H2,1-4H3,(H,21,23);5-9,15,17,23H,10-11H2,1-4H3,(H,20,22)/t3*18-,20-;16-,18-;15-,17-/m11111/s1
InChIKeyZNDMMZAHNBYVQH-RFLFLAAGSA-N
XLogP15.57
TPSA402.13 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds42
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001866.11
LogP ≤ 515.57
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide?
The IUPAC name of bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide (CID 162166096) is bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide.
What is the SMILES notation for bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide?
The canonical SMILES for bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide is CO[C@H](CC(=O)NO)[C@H](Cc1ccc(C)cc1)c1cc(C)n(C)n1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(C)cc1)c1ccn(C(C)C)n1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1-c1ccccc1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1-c1ccccc1.Cc1ccc(C[C@H](c2ccnn2C(C)C)[C@@H](CC(=O)NO)OCCCO)cc1.
What is the InChIKey of bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide?
The InChIKey is ZNDMMZAHNBYVQH-RFLFLAAGSA-N. The full InChI is InChI=1S/2C21H22ClN3O3.C21H31N3O4.C19H27N3O3.C18H25N3O3/c2*1-28-20(14-21(26)24-27)18(13-15-7-9-16(22)10-8-15)19-11-12-23-25(19)17-5-3-2-4-6-17;1-15(2)24-19(9-10-22-24)18(13-17-7-5-16(3)6-8-17)20(14-21(26)23-27)28-12-4-11-25;1-13(2)22-10-9-17(20-22)16(18(25-4)12-19(23)21-24)11-15-7-5-14(3)6-8-15;1-12-5-7-14(8-6-12)10-15(16-9-13(2)21(3)19-16)17(24-4)11-18(22)20-23/h2*2-12,18,20,27H,13-14H2,1H3,(H,24,26);5-10,15,18,20,25,27H,4,11-14H2,1-3H3,(H,23,26);5-10,13,16,18,24H,11-12H2,1-4H3,(H,21,23);5-9,15,17,23H,10-11H2,1-4H3,(H,20,22)/t3*18-,20-;16-,18-;15-,17-/m11111/s1.
What are the key properties of bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide?
bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide has a molecular weight of 1866.11 g/mol, XLogP of 15.57, 42 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-phenylpyrazol-3-yl)pentanamide);(3R,4R)-4-(1,5-dimethylpyrazol-3-yl)-N-hydroxy-3-methoxy-5-(4-methylphenyl)pentanamide;(3R,4R)-N-hydroxy-3-(3-hydroxypropoxy)-5-(4-methylphenyl)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-N-hydroxy-3-methoxy-5-(4-methylphenyl)-4-(1-propan-2-ylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 162166096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).