N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide

C23H23N3O3 — CID 15461758

IUPACN-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide
SMILESCOc1ccc(-n2nc(C#CC(C)N(O)C(C)=O)cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3
InChIKeyKNZSXUMSPZBUEG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.83
Rot. Bonds4

About N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide

N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide (PubChem CID 15461758) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide
PubChem CID15461758
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide
SMILESCOc1ccc(-n2nc(C#CC(C)N(O)C(C)=O)cc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3
InChIKeyKNZSXUMSPZBUEG-UHFFFAOYSA-N
XLogP3.83
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide?
The IUPAC name of N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide (CID 15461758) is N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide.
What is the SMILES notation for N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide?
The canonical SMILES for N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide is COc1ccc(-n2nc(C#CC(C)N(O)C(C)=O)cc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide?
The InChIKey is KNZSXUMSPZBUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-5-8-19(9-6-16)23-15-20(10-7-17(2)26(28)18(3)27)24-25(23)21-11-13-22(29-4)14-12-21/h5-6,8-9,11-15,17,28H,1-4H3.
What are the key properties of N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide?
N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]acetamide is sourced from PubChem (CID 15461758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).