5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide

C21H23N3O2 — CID 118714384

IUPAC5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide
SMILESO=C(CCCCc1cn(Cc2ccccc2)nc1-c1ccccc1)NO
InChIInChI=1S/C21H23N3O2/c25-20(23-26)14-8-7-13-19-16-24(15-17-9-3-1-4-10-17)22-21(19)18-11-5-2-6-12-18/h1-6,9-12,16,26H,7-8,13-15H2,(H,23,25)
InChIKeySPFXHKSDULZPCX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.82
Rot. Bonds8

About 5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide

5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide (PubChem CID 118714384) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide.

Molecular Properties

Compound Name5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide
PubChem CID118714384
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide
SMILESO=C(CCCCc1cn(Cc2ccccc2)nc1-c1ccccc1)NO
InChIInChI=1S/C21H23N3O2/c25-20(23-26)14-8-7-13-19-16-24(15-17-9-3-1-4-10-17)22-21(19)18-11-5-2-6-12-18/h1-6,9-12,16,26H,7-8,13-15H2,(H,23,25)
InChIKeySPFXHKSDULZPCX-UHFFFAOYSA-N
XLogP3.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

Triazole Ligand, 6a
CID 24881257
Triazole Ligand, 10a
CID 24881330
Triazole Ligand, 14a
CID 24881402
Triazole Ligand, 12a
CID 24881407
2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063
N-[2-(1-phenyl-1H-pyrazol-3-yl)ethyl]cyclohexanecarboxamide
CID 47092747
8-(4,5-Diphenyl-pyrazol-1-yl)-octanoic acid
CID 10090048
9-(3,4-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10090958
9-(4,5-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10452166
(1R,2R,3R)-N-hydroxy-2-(1-methylpyrazol-4-yl)-3-phenylcyclopropane-1-carboxamide
CID 60148646
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide
CID 71625690
5-(1-benzylpyrazol-3-yl)-N-hydroxypentanamide
CID 72195320

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide?
The IUPAC name of 5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide (CID 118714384) is 5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide.
What is the SMILES notation for 5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide?
The canonical SMILES for 5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide is O=C(CCCCc1cn(Cc2ccccc2)nc1-c1ccccc1)NO.
What is the InChIKey of 5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide?
The InChIKey is SPFXHKSDULZPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(23-26)14-8-7-13-19-16-24(15-17-9-3-1-4-10-17)22-21(19)18-11-5-2-6-12-18/h1-6,9-12,16,26H,7-8,13-15H2,(H,23,25).
What are the key properties of 5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide?
5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide has a molecular weight of 349.43 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-3-phenylpyrazol-4-yl)-N-hydroxypentanamide is sourced from PubChem (CID 118714384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).