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

C22H24FN3O — CID 25486900

IUPAC1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
SMILESCc1ccc(-n2cc(CN3CCC(O)CC3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H24FN3O/c1-16-2-8-20(9-3-16)26-15-18(14-25-12-10-21(27)11-13-25)22(24-26)17-4-6-19(23)7-5-17/h2-9,15,21,27H,10-14H2,1H3
InChIKeyKXNHITVAVVJYLP-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.94
Rot. Bonds4

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

1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol (PubChem CID 25486900) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
PubChem CID25486900
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
SMILESCc1ccc(-n2cc(CN3CCC(O)CC3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H24FN3O/c1-16-2-8-20(9-3-16)26-15-18(14-25-12-10-21(27)11-13-25)22(24-26)17-4-6-19(23)7-5-17/h2-9,15,21,27H,10-14H2,1H3
InChIKeyKXNHITVAVVJYLP-UHFFFAOYSA-N
XLogP3.94
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol (CID 25486900) is 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol is Cc1ccc(-n2cc(CN3CCC(O)CC3)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is KXNHITVAVVJYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-16-2-8-20(9-3-16)26-15-18(14-25-12-10-21(27)11-13-25)22(24-26)17-4-6-19(23)7-5-17/h2-9,15,21,27H,10-14H2,1H3.
What are the key properties of 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol?
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 365.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 25486900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).