(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide

C87H112Cl4N14O12 — CID 160619711

IUPAC(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide
SMILESCNCCCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCNCc1ccc(C)cc1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1Cc1ccccc1
InChIInChI=1S/C27H35ClN4O3.C22H24ClN3O3.C20H29ClN4O3.C18H24ClN3O3/c1-20-5-7-22(8-6-20)19-29-14-3-4-16-32-25(13-15-30-32)24(26(35-2)18-27(33)31-34)17-21-9-11-23(28)12-10-21;1-29-21(14-22(27)25-28)19(13-16-7-9-18(23)10-8-16)20-11-12-24-26(20)15-17-5-3-2-4-6-17;1-22-10-3-4-12-25-18(9-11-23-25)17(19(28-2)14-20(26)24-27)13-15-5-7-16(21)8-6-15;1-12(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/h5-13,15,24,26,29,34H,3-4,14,16-19H2,1-2H3,(H,31,33);2-12,19,21,28H,13-15H2,1H3,(H,25,27);5-9,11,17,19,22,27H,3-4,10,12-14H2,1-2H3,(H,24,26);4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23)/t24-,26-;19-,21-;17-,19-;15-,17-/m1111/s1
InChIKeyRGNXDQZTVFDZBY-UJJIQZOYSA-N
MW1687.75 g/mol
LogP14.60
Rot. Bonds43

About (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide

(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide (PubChem CID 160619711) has the molecular formula C87H112Cl4N14O12 and a molecular weight of 1687.75 g/mol. Its IUPAC name is (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide
PubChem CID160619711
Molecular FormulaC87H112Cl4N14O12
Molecular Weight1687.75 g/mol
Exact Mass1684.73
IUPAC Name(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide
SMILESCNCCCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCNCc1ccc(C)cc1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1Cc1ccccc1
InChIInChI=1S/C27H35ClN4O3.C22H24ClN3O3.C20H29ClN4O3.C18H24ClN3O3/c1-20-5-7-22(8-6-20)19-29-14-3-4-16-32-25(13-15-30-32)24(26(35-2)18-27(33)31-34)17-21-9-11-23(28)12-10-21;1-29-21(14-22(27)25-28)19(13-16-7-9-18(23)10-8-16)20-11-12-24-26(20)15-17-5-3-2-4-6-17;1-22-10-3-4-12-25-18(9-11-23-25)17(19(28-2)14-20(26)24-27)13-15-5-7-16(21)8-6-15;1-12(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/h5-13,15,24,26,29,34H,3-4,14,16-19H2,1-2H3,(H,31,33);2-12,19,21,28H,13-15H2,1H3,(H,25,27);5-9,11,17,19,22,27H,3-4,10,12-14H2,1-2H3,(H,24,26);4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23)/t24-,26-;19-,21-;17-,19-;15-,17-/m1111/s1
InChIKeyRGNXDQZTVFDZBY-UJJIQZOYSA-N
XLogP14.60
TPSA329.58 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds43
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001687.75
LogP ≤ 514.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

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 (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide?
The IUPAC name of (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide (CID 160619711) is (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide.
What is the SMILES notation for (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide?
The canonical SMILES for (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide is CNCCCCn1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OC.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCNCc1ccc(C)cc1.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1Cc1ccccc1.
What is the InChIKey of (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide?
The InChIKey is RGNXDQZTVFDZBY-UJJIQZOYSA-N. The full InChI is InChI=1S/C27H35ClN4O3.C22H24ClN3O3.C20H29ClN4O3.C18H24ClN3O3/c1-20-5-7-22(8-6-20)19-29-14-3-4-16-32-25(13-15-30-32)24(26(35-2)18-27(33)31-34)17-21-9-11-23(28)12-10-21;1-29-21(14-22(27)25-28)19(13-16-7-9-18(23)10-8-16)20-11-12-24-26(20)15-17-5-3-2-4-6-17;1-22-10-3-4-12-25-18(9-11-23-25)17(19(28-2)14-20(26)24-27)13-15-5-7-16(21)8-6-15;1-12(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/h5-13,15,24,26,29,34H,3-4,14,16-19H2,1-2H3,(H,31,33);2-12,19,21,28H,13-15H2,1H3,(H,25,27);5-9,11,17,19,22,27H,3-4,10,12-14H2,1-2H3,(H,24,26);4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23)/t24-,26-;19-,21-;17-,19-;15-,17-/m1111/s1.
What are the key properties of (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide?
(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide has a molecular weight of 1687.75 g/mol, XLogP of 14.60, 43 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-(methylamino)butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-[4-[(4-methylphenyl)methylamino]butyl]pyrazol-3-yl]pentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 160619711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).