1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol

C23H26FN3O — CID 70749194

IUPAC1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCc1cccc(-n2cc(CN3CCCC(C)(O)C3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C23H26FN3O/c1-17-6-3-9-21(12-17)27-15-19(14-26-11-5-10-23(2,28)16-26)22(25-27)18-7-4-8-20(24)13-18/h3-4,6-9,12-13,15,28H,5,10-11,14,16H2,1-2H3
InChIKeyCTLFJPFVXAUAFG-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.33
Rot. Bonds4

About 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol

1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol (PubChem CID 70749194) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol
PubChem CID70749194
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCc1cccc(-n2cc(CN3CCCC(C)(O)C3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C23H26FN3O/c1-17-6-3-9-21(12-17)27-15-19(14-26-11-5-10-23(2,28)16-26)22(25-27)18-7-4-8-20(24)13-18/h3-4,6-9,12-13,15,28H,5,10-11,14,16H2,1-2H3
InChIKeyCTLFJPFVXAUAFG-UHFFFAOYSA-N
XLogP4.33
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol (CID 70749194) is 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol is Cc1cccc(-n2cc(CN3CCCC(C)(O)C3)c(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The InChIKey is CTLFJPFVXAUAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-17-6-3-9-21(12-17)27-15-19(14-26-11-5-10-23(2,28)16-26)22(25-27)18-7-4-8-20(24)13-18/h3-4,6-9,12-13,15,28H,5,10-11,14,16H2,1-2H3.
What are the key properties of 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol has a molecular weight of 379.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 70749194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).