(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide

C22H24ClN3O3 — CID 155429840

IUPAC(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1Cc1ccccc1
InChIInChI=1S/C22H24ClN3O3/c1-29-21(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/h2-12,19,21,28H,13-15H2,1H3,(H,25,27)/t19-,21-/m1/s1
InChIKeyPNLNGWFMHNSQCC-TZIWHRDSSA-N
MW413.91 g/mol
LogP3.82
Rot. Bonds9

About (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide

(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide (PubChem CID 155429840) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide.

Molecular Properties

Compound Name(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide
PubChem CID155429840
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1Cc1ccccc1
InChIInChI=1S/C22H24ClN3O3/c1-29-21(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/h2-12,19,21,28H,13-15H2,1H3,(H,25,27)/t19-,21-/m1/s1
InChIKeyPNLNGWFMHNSQCC-TZIWHRDSSA-N
XLogP3.82
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide?
The IUPAC name of (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide (CID 155429840) is (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide.
What is the SMILES notation for (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide?
The canonical SMILES for (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide is 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?
The InChIKey is PNLNGWFMHNSQCC-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-29-21(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/h2-12,19,21,28H,13-15H2,1H3,(H,25,27)/t19-,21-/m1/s1.
What are the key properties of (3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide?
(3R,4R)-4-(2-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide has a molecular weight of 413.91 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 155429840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).