(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide

C20H28ClN3O4 — CID 155409627

IUPAC(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide
SMILESCC(C)n1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OCCCO
InChIInChI=1S/C20H28ClN3O4/c1-14(2)24-18(8-9-22-24)17(12-15-4-6-16(21)7-5-15)19(13-20(26)23-27)28-11-3-10-25/h4-9,14,17,19,25,27H,3,10-13H2,1-2H3,(H,23,26)/t17-,19-/m1/s1
InChIKeyDETPGIUNXSWLDM-IEBWSBKVSA-N
MW409.91 g/mol
LogP3.11
Rot. Bonds11

About (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide

(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide (PubChem CID 155409627) has the molecular formula C20H28ClN3O4 and a molecular weight of 409.91 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide
PubChem CID155409627
Molecular FormulaC20H28ClN3O4
Molecular Weight409.91 g/mol
Exact Mass409.18
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide
SMILESCC(C)n1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OCCCO
InChIInChI=1S/C20H28ClN3O4/c1-14(2)24-18(8-9-22-24)17(12-15-4-6-16(21)7-5-15)19(13-20(26)23-27)28-11-3-10-25/h4-9,14,17,19,25,27H,3,10-13H2,1-2H3,(H,23,26)/t17-,19-/m1/s1
InChIKeyDETPGIUNXSWLDM-IEBWSBKVSA-N
XLogP3.11
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide (CID 155409627) is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide is CC(C)n1nccc1[C@@H](Cc1ccc(Cl)cc1)[C@@H](CC(=O)NO)OCCCO.
What is the InChIKey of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide?
The InChIKey is DETPGIUNXSWLDM-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H28ClN3O4/c1-14(2)24-18(8-9-22-24)17(12-15-4-6-16(21)7-5-15)19(13-20(26)23-27)28-11-3-10-25/h4-9,14,17,19,25,27H,3,10-13H2,1-2H3,(H,23,26)/t17-,19-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide?
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide has a molecular weight of 409.91 g/mol, XLogP of 3.11, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)-4-(2-propan-2-ylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 155409627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).