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

C22H24FN3O — CID 16673722

IUPAC1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1
InChIInChI=1S/C22H24FN3O/c1-17-2-4-19(5-3-17)22(27)10-12-25(13-11-22)15-18-14-24-26(16-18)21-8-6-20(23)7-9-21/h2-9,14,16,27H,10-13,15H2,1H3
InChIKeyDJIVAVGIMMYYQV-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.80
Rot. Bonds4

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

1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol (PubChem CID 16673722) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol
PubChem CID16673722
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1
InChIInChI=1S/C22H24FN3O/c1-17-2-4-19(5-3-17)22(27)10-12-25(13-11-22)15-18-14-24-26(16-18)21-8-6-20(23)7-9-21/h2-9,14,16,27H,10-13,15H2,1H3
InChIKeyDJIVAVGIMMYYQV-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol (CID 16673722) is 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol is Cc1ccc(C2(O)CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol?
The InChIKey is DJIVAVGIMMYYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-17-2-4-19(5-3-17)22(27)10-12-25(13-11-22)15-18-14-24-26(16-18)21-8-6-20(23)7-9-21/h2-9,14,16,27H,10-13,15H2,1H3.
What are the key properties of 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol?
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol has a molecular weight of 365.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(4-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 16673722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).