1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine

C28H39N3O — CID 72724529

IUPAC1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine
SMILESCc1ccc(C2=NN(c3ccccc3)C(CON3C(C)(C)CCCC3(C)C)C2(C)C)cc1
InChIInChI=1S/C28H39N3O/c1-21-14-16-22(17-15-21)25-28(6,7)24(30(29-25)23-12-9-8-10-13-23)20-32-31-26(2,3)18-11-19-27(31,4)5/h8-10,12-17,24H,11,18-20H2,1-7H3
InChIKeyGXVCJSNKAGNNGY-UHFFFAOYSA-N
MW433.64 g/mol
LogP6.59
Rot. Bonds5

About 1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine

1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 72724529) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is 1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID72724529
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC Name1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine
SMILESCc1ccc(C2=NN(c3ccccc3)C(CON3C(C)(C)CCCC3(C)C)C2(C)C)cc1
InChIInChI=1S/C28H39N3O/c1-21-14-16-22(17-15-21)25-28(6,7)24(30(29-25)23-12-9-8-10-13-23)20-32-31-26(2,3)18-11-19-27(31,4)5/h8-10,12-17,24H,11,18-20H2,1-7H3
InChIKeyGXVCJSNKAGNNGY-UHFFFAOYSA-N
XLogP6.59
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine (CID 72724529) is 1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine is Cc1ccc(C2=NN(c3ccccc3)C(CON3C(C)(C)CCCC3(C)C)C2(C)C)cc1.
What is the InChIKey of 1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is GXVCJSNKAGNNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-21-14-16-22(17-15-21)25-28(6,7)24(30(29-25)23-12-9-8-10-13-23)20-32-31-26(2,3)18-11-19-27(31,4)5/h8-10,12-17,24H,11,18-20H2,1-7H3.
What are the key properties of 1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine?
1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 433.64 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,4-dimethyl-5-(4-methylphenyl)-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 72724529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).