(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide

C18H24ClN3O4 — CID 155409666

IUPAC(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCO
InChIInChI=1S/C18H24ClN3O4/c1-26-17(12-18(24)21-25)15(11-13-3-5-14(19)6-4-13)16-7-8-20-22(16)9-2-10-23/h3-8,15,17,23,25H,2,9-12H2,1H3,(H,21,24)/t15-,17-/m1/s1
InChIKeyVRKMQEDVJDMGLT-NVXWUHKLSA-N
MW381.86 g/mol
LogP2.16
Rot. Bonds10

About (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide

(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide (PubChem CID 155409666) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide
PubChem CID155409666
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCO
InChIInChI=1S/C18H24ClN3O4/c1-26-17(12-18(24)21-25)15(11-13-3-5-14(19)6-4-13)16-7-8-20-22(16)9-2-10-23/h3-8,15,17,23,25H,2,9-12H2,1H3,(H,21,24)/t15-,17-/m1/s1
InChIKeyVRKMQEDVJDMGLT-NVXWUHKLSA-N
XLogP2.16
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide (CID 155409666) is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide is CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCO.
What is the InChIKey of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide?
The InChIKey is VRKMQEDVJDMGLT-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H24ClN3O4/c1-26-17(12-18(24)21-25)15(11-13-3-5-14(19)6-4-13)16-7-8-20-22(16)9-2-10-23/h3-8,15,17,23,25H,2,9-12H2,1H3,(H,21,24)/t15-,17-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide?
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide has a molecular weight of 381.86 g/mol, XLogP of 2.16, 10 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-4-[2-(3-hydroxypropyl)pyrazol-3-yl]-3-methoxypentanamide is sourced from PubChem (CID 155409666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).