1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine

C23H37N3O — CID 72722568

IUPAC1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC(C)(C)C1=NN(c2ccccc2)C(CON2C(C)(C)CCCC2(C)C)C1
InChIInChI=1S/C23H37N3O/c1-21(2,3)20-16-19(25(24-20)18-12-9-8-10-13-18)17-27-26-22(4,5)14-11-15-23(26,6)7/h8-10,12-13,19H,11,14-17H2,1-7H3
InChIKeyGSZPYIPYDJNBIM-UHFFFAOYSA-N
MW371.57 g/mol
LogP5.64
Rot. Bonds4

About 1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine

1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 72722568) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID72722568
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC(C)(C)C1=NN(c2ccccc2)C(CON2C(C)(C)CCCC2(C)C)C1
InChIInChI=1S/C23H37N3O/c1-21(2,3)20-16-19(25(24-20)18-12-9-8-10-13-18)17-27-26-22(4,5)14-11-15-23(26,6)7/h8-10,12-13,19H,11,14-17H2,1-7H3
InChIKeyGSZPYIPYDJNBIM-UHFFFAOYSA-N
XLogP5.64
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine (CID 72722568) is 1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine is CC(C)(C)C1=NN(c2ccccc2)C(CON2C(C)(C)CCCC2(C)C)C1.
What is the InChIKey of 1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is GSZPYIPYDJNBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-21(2,3)20-16-19(25(24-20)18-12-9-8-10-13-18)17-27-26-22(4,5)14-11-15-23(26,6)7/h8-10,12-13,19H,11,14-17H2,1-7H3.
What are the key properties of 1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine?
1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 371.57 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-2-phenyl-3,4-dihydropyrazol-3-yl)methoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 72722568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).