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

C24H28FN3O2 — CID 70763804

IUPAC1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCC(C)(O)C2)cc1F
InChIInChI=1S/C24H28FN3O2/c1-17-7-4-5-8-21(17)28-15-19(14-27-12-6-11-24(2,29)16-27)23(26-28)18-9-10-22(30-3)20(25)13-18/h4-5,7-10,13,15,29H,6,11-12,14,16H2,1-3H3
InChIKeyFEBKZKWBCTXAJK-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.34
Rot. Bonds5

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

1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol (PubChem CID 70763804) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol
PubChem CID70763804
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCC(C)(O)C2)cc1F
InChIInChI=1S/C24H28FN3O2/c1-17-7-4-5-8-21(17)28-15-19(14-27-12-6-11-24(2,29)16-27)23(26-28)18-9-10-22(30-3)20(25)13-18/h4-5,7-10,13,15,29H,6,11-12,14,16H2,1-3H3
InChIKeyFEBKZKWBCTXAJK-UHFFFAOYSA-N
XLogP4.34
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol (CID 70763804) is 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol is COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCC(C)(O)C2)cc1F.
What is the InChIKey of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The InChIKey is FEBKZKWBCTXAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-17-7-4-5-8-21(17)28-15-19(14-27-12-6-11-24(2,29)16-27)23(26-28)18-9-10-22(30-3)20(25)13-18/h4-5,7-10,13,15,29H,6,11-12,14,16H2,1-3H3.
What are the key properties of 1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol has a molecular weight of 409.51 g/mol, XLogP of 4.34, 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]-3-methylpiperidin-3-ol is sourced from PubChem (CID 70763804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).