N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide

C26H32N4O3 — CID 59486783

IUPACN-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2cc(C3CCN(C(=O)N(C)O)CC3)nn2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C26H32N4O3/c1-18(2)19-5-9-22(10-6-19)30-25(21-7-11-23(33-4)12-8-21)17-24(27-30)20-13-15-29(16-14-20)26(31)28(3)32/h5-12,17-18,20,32H,13-16H2,1-4H3
InChIKeyXIJUPXBUNUJRLX-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.29
Rot. Bonds5

About N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide

N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 59486783) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID59486783
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2cc(C3CCN(C(=O)N(C)O)CC3)nn2-c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C26H32N4O3/c1-18(2)19-5-9-22(10-6-19)30-25(21-7-11-23(33-4)12-8-21)17-24(27-30)20-13-15-29(16-14-20)26(31)28(3)32/h5-12,17-18,20,32H,13-16H2,1-4H3
InChIKeyXIJUPXBUNUJRLX-UHFFFAOYSA-N
XLogP5.29
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.29
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide (CID 59486783) is N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide is COc1ccc(-c2cc(C3CCN(C(=O)N(C)O)CC3)nn2-c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is XIJUPXBUNUJRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18(2)19-5-9-22(10-6-19)30-25(21-7-11-23(33-4)12-8-21)17-24(27-30)20-13-15-29(16-14-20)26(31)28(3)32/h5-12,17-18,20,32H,13-16H2,1-4H3.
What are the key properties of N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide?
N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 59486783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).