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

C26H32ClFN4O3 — CID 155409570

IUPAC(3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCNCc1ccc(F)cc1
InChIInChI=1S/C26H32ClFN4O3/c1-35-25(17-26(33)31-34)23(16-19-4-8-21(27)9-5-19)24-12-14-30-32(24)15-3-2-13-29-18-20-6-10-22(28)11-7-20/h4-12,14,23,25,29,34H,2-3,13,15-18H2,1H3,(H,31,33)/t23-,25-/m1/s1
InChIKeyAWQYRBZYAKNXIT-ILBGXUMGSA-N
MW503.02 g/mol
LogP4.48
Rot. Bonds14

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

(3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide (PubChem CID 155409570) has the molecular formula C26H32ClFN4O3 and a molecular weight of 503.02 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide
PubChem CID155409570
Molecular FormulaC26H32ClFN4O3
Molecular Weight503.02 g/mol
Exact Mass502.21
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCNCc1ccc(F)cc1
InChIInChI=1S/C26H32ClFN4O3/c1-35-25(17-26(33)31-34)23(16-19-4-8-21(27)9-5-19)24-12-14-30-32(24)15-3-2-13-29-18-20-6-10-22(28)11-7-20/h4-12,14,23,25,29,34H,2-3,13,15-18H2,1H3,(H,31,33)/t23-,25-/m1/s1
InChIKeyAWQYRBZYAKNXIT-ILBGXUMGSA-N
XLogP4.48
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.02
LogP ≤ 54.48
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide (CID 155409570) is (3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide is CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCNCc1ccc(F)cc1.
What is the InChIKey of (3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide?
The InChIKey is AWQYRBZYAKNXIT-ILBGXUMGSA-N. The full InChI is InChI=1S/C26H32ClFN4O3/c1-35-25(17-26(33)31-34)23(16-19-4-8-21(27)9-5-19)24-12-14-30-32(24)15-3-2-13-29-18-20-6-10-22(28)11-7-20/h4-12,14,23,25,29,34H,2-3,13,15-18H2,1H3,(H,31,33)/t23-,25-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide?
(3R,4R)-5-(4-chlorophenyl)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide has a molecular weight of 503.02 g/mol, XLogP of 4.48, 14 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)-4-[2-[4-[(4-fluorophenyl)methylamino]butyl]pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide is sourced from PubChem (CID 155409570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).