N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide

C16H21N3O2 — CID 118714373

IUPACN-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide
SMILESCc1ccc(Cn2ccc(CCCCC(=O)NO)n2)cc1
InChIInChI=1S/C16H21N3O2/c1-13-6-8-14(9-7-13)12-19-11-10-15(17-19)4-2-3-5-16(20)18-21/h6-11,21H,2-5,12H2,1H3,(H,18,20)
InChIKeyWHGNNTDLQZLTER-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.46
Rot. Bonds7

About N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide

N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide (PubChem CID 118714373) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide
PubChem CID118714373
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide
SMILESCc1ccc(Cn2ccc(CCCCC(=O)NO)n2)cc1
InChIInChI=1S/C16H21N3O2/c1-13-6-8-14(9-7-13)12-19-11-10-15(17-19)4-2-3-5-16(20)18-21/h6-11,21H,2-5,12H2,1H3,(H,18,20)
InChIKeyWHGNNTDLQZLTER-UHFFFAOYSA-N
XLogP2.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide?
The IUPAC name of N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide (CID 118714373) is N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide?
The canonical SMILES for N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide is Cc1ccc(Cn2ccc(CCCCC(=O)NO)n2)cc1.
What is the InChIKey of N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide?
The InChIKey is WHGNNTDLQZLTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-6-8-14(9-7-13)12-19-11-10-15(17-19)4-2-3-5-16(20)18-21/h6-11,21H,2-5,12H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide?
N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide has a molecular weight of 287.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pentanamide is sourced from PubChem (CID 118714373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).