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

C28H39N3O2 — CID 72724528

IUPAC1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccc(C2=NN(c3ccccc3)C(CON3C(C)(C)CCCC3(C)C)C2(C)C)cc1
InChIInChI=1S/C28H39N3O2/c1-26(2)18-11-19-27(3,4)31(26)33-20-24-28(5,6)25(21-14-16-23(32-7)17-15-21)29-30(24)22-12-9-8-10-13-22/h8-10,12-17,24H,11,18-20H2,1-7H3
InChIKeyRZOIFXSHFXXYPQ-UHFFFAOYSA-N
MW449.64 g/mol
LogP6.29
Rot. Bonds6

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

1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 72724528) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID72724528
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC Name1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccc(C2=NN(c3ccccc3)C(CON3C(C)(C)CCCC3(C)C)C2(C)C)cc1
InChIInChI=1S/C28H39N3O2/c1-26(2)18-11-19-27(3,4)31(26)33-20-24-28(5,6)25(21-14-16-23(32-7)17-15-21)29-30(24)22-12-9-8-10-13-22/h8-10,12-17,24H,11,18-20H2,1-7H3
InChIKeyRZOIFXSHFXXYPQ-UHFFFAOYSA-N
XLogP6.29
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4,4-dimethyl-2-phenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3H-pyrazol-5-yl]benzonitrile
CID 72724530
[5-(4-methoxyphenyl)-2,3-diphenyl-3,4-dihydropyrazol-4-yl]-[5-(4-methoxyphenyl)-4-methyl-2,3-diphenyl-3H-pyrazol-4-yl]methanone
CID 11125352
1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one
CID 11068798
(3S)-3-(4-methoxyphenyl)-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 92909932
(5R,6S)-4-(4-methoxyphenyl)-6-phenylspiro[1,3-diazabicyclo[3.1.0]hex-3-ene-2,1'-cyclododecane]
CID 95564221
CID 162411162
CID 162411162
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
(2,2-dimethylpyrrolidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166189978
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 101435165
3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-amine
CID 133180239
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine (CID 72724528) is 1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine is COc1ccc(C2=NN(c3ccccc3)C(CON3C(C)(C)CCCC3(C)C)C2(C)C)cc1.
What is the InChIKey of 1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is RZOIFXSHFXXYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-26(2)18-11-19-27(3,4)31(26)33-20-24-28(5,6)25(21-14-16-23(32-7)17-15-21)29-30(24)22-12-9-8-10-13-22/h8-10,12-17,24H,11,18-20H2,1-7H3.
What are the key properties of 1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine?
1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 449.64 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methoxyphenyl)-4,4-dimethyl-2-phenyl-3H-pyrazol-3-yl]methoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 72724528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).