(3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide

C85H110Cl5N15O15 — CID 157477719

IUPAC(3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide
SMILESCCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC.CCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C
InChIInChI=1S/2C18H24ClN3O3.C17H22ClN3O3.2C16H20ClN3O3/c1-12(2)22-16(8-9-20-22)15(17(25-3)11-18(23)21-24)10-13-4-6-14(19)7-5-13;1-3-10-22-16(8-9-20-22)15(17(25-2)12-18(23)21-24)11-13-4-6-14(19)7-5-13;1-3-21-15(8-9-19-21)14(16(24-2)11-17(22)20-23)10-12-4-6-13(18)7-5-12;2*1-20-14(7-8-18-20)13(15(23-2)10-16(21)19-22)9-11-3-5-12(17)6-4-11/h4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23);4-9,15,17,24H,3,10-12H2,1-2H3,(H,21,23);4-9,14,16,23H,3,10-11H2,1-2H3,(H,20,22);2*3-8,13,15,22H,9-10H2,1-2H3,(H,19,21)/t2*15-,17-;14-,16-;2*13-,15-/m11111/s1
InChIKeyBVUGWMJOGDPEEX-UOMNSOSUSA-N
MW1759.17 g/mol
LogP13.95
Rot. Bonds39

About (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide

(3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide (PubChem CID 157477719) has the molecular formula C85H110Cl5N15O15 and a molecular weight of 1759.17 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide
PubChem CID157477719
Molecular FormulaC85H110Cl5N15O15
Molecular Weight1759.17 g/mol
Exact Mass1755.67
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide
SMILESCCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC.CCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C
InChIInChI=1S/2C18H24ClN3O3.C17H22ClN3O3.2C16H20ClN3O3/c1-12(2)22-16(8-9-20-22)15(17(25-3)11-18(23)21-24)10-13-4-6-14(19)7-5-13;1-3-10-22-16(8-9-20-22)15(17(25-2)12-18(23)21-24)11-13-4-6-14(19)7-5-13;1-3-21-15(8-9-19-21)14(16(24-2)11-17(22)20-23)10-12-4-6-13(18)7-5-12;2*1-20-14(7-8-18-20)13(15(23-2)10-16(21)19-22)9-11-3-5-12(17)6-4-11/h4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23);4-9,15,17,24H,3,10-12H2,1-2H3,(H,21,23);4-9,14,16,23H,3,10-11H2,1-2H3,(H,20,22);2*3-8,13,15,22H,9-10H2,1-2H3,(H,19,21)/t2*15-,17-;14-,16-;2*13-,15-/m11111/s1
InChIKeyBVUGWMJOGDPEEX-UOMNSOSUSA-N
XLogP13.95
TPSA381.90 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001759.17
LogP ≤ 513.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide (CID 157477719) is (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide is CCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC.CCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.
What is the InChIKey of (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide?
The InChIKey is BVUGWMJOGDPEEX-UOMNSOSUSA-N. The full InChI is InChI=1S/2C18H24ClN3O3.C17H22ClN3O3.2C16H20ClN3O3/c1-12(2)22-16(8-9-20-22)15(17(25-3)11-18(23)21-24)10-13-4-6-14(19)7-5-13;1-3-10-22-16(8-9-20-22)15(17(25-2)12-18(23)21-24)11-13-4-6-14(19)7-5-13;1-3-21-15(8-9-19-21)14(16(24-2)11-17(22)20-23)10-12-4-6-13(18)7-5-12;2*1-20-14(7-8-18-20)13(15(23-2)10-16(21)19-22)9-11-3-5-12(17)6-4-11/h4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23);4-9,15,17,24H,3,10-12H2,1-2H3,(H,21,23);4-9,14,16,23H,3,10-11H2,1-2H3,(H,20,22);2*3-8,13,15,22H,9-10H2,1-2H3,(H,19,21)/t2*15-,17-;14-,16-;2*13-,15-/m11111/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide?
(3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide has a molecular weight of 1759.17 g/mol, XLogP of 13.95, 39 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(4-chlorophenyl)-4-(2-ethylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;bis((3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-methylpyrazol-3-yl)pentanamide);(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 157477719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).