(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine

C56H79Cl3N8O9 — CID 160748150

IUPAC(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine
SMILESCNO.COC(=O)C[C@@H](OC)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.CO[C@H](CCO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C
InChIInChI=1S/C19H25ClN2O3.C18H24ClN3O3.C18H25ClN2O2.CH5NO/c1-13(2)22-17(9-10-21-22)16(18(24-3)12-19(23)25-4)11-14-5-7-15(20)8-6-14;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;1-13(2)21-17(8-10-20-21)16(18(23-3)9-11-22)12-14-4-6-15(19)7-5-14;1-2-3/h5-10,13,16,18H,11-12H2,1-4H3;4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23);4-8,10,13,16,18,22H,9,11-12H2,1-3H3;2-3H,1H3/t16-,18-;15-,17-;16-,18-;/m111./s1
InChIKeyRWLPALLOLNYYEL-ZEPJSCTRSA-N
MW1114.65 g/mol
LogP10.81
Rot. Bonds24

About (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine

(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine (PubChem CID 160748150) has the molecular formula C56H79Cl3N8O9 and a molecular weight of 1114.65 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine
PubChem CID160748150
Molecular FormulaC56H79Cl3N8O9
Molecular Weight1114.65 g/mol
Exact Mass1112.50
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine
SMILESCNO.COC(=O)C[C@@H](OC)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.CO[C@H](CCO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C
InChIInChI=1S/C19H25ClN2O3.C18H24ClN3O3.C18H25ClN2O2.CH5NO/c1-13(2)22-17(9-10-21-22)16(18(24-3)12-19(23)25-4)11-14-5-7-15(20)8-6-14;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;1-13(2)21-17(8-10-20-21)16(18(23-3)9-11-22)12-14-4-6-15(19)7-5-14;1-2-3/h5-10,13,16,18H,11-12H2,1-4H3;4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23);4-8,10,13,16,18,22H,9,11-12H2,1-3H3;2-3H,1H3/t16-,18-;15-,17-;16-,18-;/m111./s1
InChIKeyRWLPALLOLNYYEL-ZEPJSCTRSA-N
XLogP10.81
TPSA209.27 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001114.65
LogP ≤ 510.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

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)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine with MolForge

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Related Compounds

CID 155409570
CID 155409570
CID 155409627
CID 155409627
CID 155409666
CID 155409666
CID 155429840
CID 155429840
CID 155409571
CID 155409571
CID 155409622
CID 155409622
CID 155409624
CID 155409624
CID 155409625
CID 155409625
CID 155409591
CID 155409591
CID 155409592
CID 155409592
CID 155409604
CID 155409604
CID 155409606
CID 155409606

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine (CID 160748150) is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine is CNO.COC(=O)C[C@@H](OC)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.CO[C@H](CCO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1C(C)C.
What is the InChIKey of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine?
The InChIKey is RWLPALLOLNYYEL-ZEPJSCTRSA-N. The full InChI is InChI=1S/C19H25ClN2O3.C18H24ClN3O3.C18H25ClN2O2.CH5NO/c1-13(2)22-17(9-10-21-22)16(18(24-3)12-19(23)25-4)11-14-5-7-15(20)8-6-14;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;1-13(2)21-17(8-10-20-21)16(18(23-3)9-11-22)12-14-4-6-15(19)7-5-14;1-2-3/h5-10,13,16,18H,11-12H2,1-4H3;4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23);4-8,10,13,16,18,22H,9,11-12H2,1-3H3;2-3H,1H3/t16-,18-;15-,17-;16-,18-;/m111./s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine?
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine has a molecular weight of 1114.65 g/mol, XLogP of 10.81, 24 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanamide;(3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentan-1-ol;methyl (3R,4R)-5-(4-chlorophenyl)-3-methoxy-4-(2-propan-2-ylpyrazol-3-yl)pentanoate;N-methylhydroxylamine is sourced from PubChem (CID 160748150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).