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

C22H24FN3O2 — CID 70752733

IUPAC1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-n2cc(CN3CCCC(O)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C22H24FN3O2/c1-28-21-9-7-19(8-10-21)26-14-17(13-25-11-3-6-20(27)15-25)22(24-26)16-4-2-5-18(23)12-16/h2,4-5,7-10,12,14,20,27H,3,6,11,13,15H2,1H3
InChIKeyNVYAMAWHWHXSHV-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.64
Rot. Bonds5

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

1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol (PubChem CID 70752733) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
PubChem CID70752733
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-n2cc(CN3CCCC(O)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C22H24FN3O2/c1-28-21-9-7-19(8-10-21)26-14-17(13-25-11-3-6-20(27)15-25)22(24-26)16-4-2-5-18(23)12-16/h2,4-5,7-10,12,14,20,27H,3,6,11,13,15H2,1H3
InChIKeyNVYAMAWHWHXSHV-UHFFFAOYSA-N
XLogP3.64
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol (CID 70752733) is 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol is COc1ccc(-n2cc(CN3CCCC(O)C3)c(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is NVYAMAWHWHXSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-28-21-9-7-19(8-10-21)26-14-17(13-25-11-3-6-20(27)15-25)22(24-26)16-4-2-5-18(23)12-16/h2,4-5,7-10,12,14,20,27H,3,6,11,13,15H2,1H3.
What are the key properties of 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 381.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 70752733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).