1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol

C18H22F3N3O2 — CID 3578707

IUPAC1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cc(C3CCN(CC(O)C(F)(F)F)CC3)[nH]n2)cc1
InChIInChI=1S/C18H22F3N3O2/c1-26-14-4-2-12(3-5-14)15-10-16(23-22-15)13-6-8-24(9-7-13)11-17(25)18(19,20)21/h2-5,10,13,17,25H,6-9,11H2,1H3,(H,22,23)
InChIKeyZTAUBGGJLHMORZ-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.19
Rot. Bonds5

About 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol (PubChem CID 3578707) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
PubChem CID3578707
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(-c2cc(C3CCN(CC(O)C(F)(F)F)CC3)[nH]n2)cc1
InChIInChI=1S/C18H22F3N3O2/c1-26-14-4-2-12(3-5-14)15-10-16(23-22-15)13-6-8-24(9-7-13)11-17(25)18(19,20)21/h2-5,10,13,17,25H,6-9,11H2,1H3,(H,22,23)
InChIKeyZTAUBGGJLHMORZ-UHFFFAOYSA-N
XLogP3.19
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol (CID 3578707) is 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol is COc1ccc(-c2cc(C3CCN(CC(O)C(F)(F)F)CC3)[nH]n2)cc1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
The InChIKey is ZTAUBGGJLHMORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-26-14-4-2-12(3-5-14)15-10-16(23-22-15)13-6-8-24(9-7-13)11-17(25)18(19,20)21/h2-5,10,13,17,25H,6-9,11H2,1H3,(H,22,23).
What are the key properties of 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol has a molecular weight of 369.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 3578707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).