1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol

C23H26FN3O2 — CID 45222602

IUPAC1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCC(O)C2)cc1F
InChIInChI=1S/C23H26FN3O2/c1-16-6-3-4-8-21(16)27-14-18(13-26-11-5-7-19(28)15-26)23(25-27)17-9-10-22(29-2)20(24)12-17/h3-4,6,8-10,12,14,19,28H,5,7,11,13,15H2,1-2H3
InChIKeyJBTGWRLEQMLNBJ-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.95
Rot. Bonds5

About 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol

1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol (PubChem CID 45222602) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
PubChem CID45222602
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCC(O)C2)cc1F
InChIInChI=1S/C23H26FN3O2/c1-16-6-3-4-8-21(16)27-14-18(13-26-11-5-7-19(28)15-26)23(25-27)17-9-10-22(29-2)20(24)12-17/h3-4,6,8-10,12,14,19,28H,5,7,11,13,15H2,1-2H3
InChIKeyJBTGWRLEQMLNBJ-UHFFFAOYSA-N
XLogP3.95
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 29087819
2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol
CID 95889035
3-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]-4-methyl-1,2,5-oxadiazole
CID 29022180
(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 95876935
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
3-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propane-1,2-diol
CID 45229661
N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-pyrazolidin-4-ylethanamine
CID 74798849
(3R)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863281
(3S)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863282
(4S)-1-ethyl-4-[[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 42525507
1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 70711620
[(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol
CID 26406315

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol (CID 45222602) is 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol is COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCC(O)C2)cc1F.
What is the InChIKey of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is JBTGWRLEQMLNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16-6-3-4-8-21(16)27-14-18(13-26-11-5-7-19(28)15-26)23(25-27)17-9-10-22(29-2)20(24)12-17/h3-4,6,8-10,12,14,19,28H,5,7,11,13,15H2,1-2H3.
What are the key properties of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 395.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 45222602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).