5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide

C19H27N3O2 — CID 118714372

IUPAC5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
SMILESCC(C)(C)c1ccc(Cn2ccc(CCCCC(=O)NO)n2)cc1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)16-10-8-15(9-11-16)14-22-13-12-17(20-22)6-4-5-7-18(23)21-24/h8-13,24H,4-7,14H2,1-3H3,(H,21,23)
InChIKeyDHPTXCYGINYMBY-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.45
Rot. Bonds7

About 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide

5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide (PubChem CID 118714372) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
PubChem CID118714372
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide
SMILESCC(C)(C)c1ccc(Cn2ccc(CCCCC(=O)NO)n2)cc1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)16-10-8-15(9-11-16)14-22-13-12-17(20-22)6-4-5-7-18(23)21-24/h8-13,24H,4-7,14H2,1-3H3,(H,21,23)
InChIKeyDHPTXCYGINYMBY-UHFFFAOYSA-N
XLogP3.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.45
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'}

Analyze 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide 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 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
The IUPAC name of 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide (CID 118714372) is 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide.
What is the SMILES notation for 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
The canonical SMILES for 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide is CC(C)(C)c1ccc(Cn2ccc(CCCCC(=O)NO)n2)cc1.
What is the InChIKey of 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
The InChIKey is DHPTXCYGINYMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,3)16-10-8-15(9-11-16)14-22-13-12-17(20-22)6-4-5-7-18(23)21-24/h8-13,24H,4-7,14H2,1-3H3,(H,21,23).
What are the key properties of 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide?
5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide has a molecular weight of 329.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-N-hydroxypentanamide is sourced from PubChem (CID 118714372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).