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

C15H18F3N3O2 — CID 3753227

IUPAC1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
SMILESOC(CN1CCC(c2cc(-c3ccco3)n[nH]2)CC1)C(F)(F)F
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)14(22)9-21-5-3-10(4-6-21)11-8-12(20-19-11)13-2-1-7-23-13/h1-2,7-8,10,14,22H,3-6,9H2,(H,19,20)
InChIKeySCHOMSDDNHJGIO-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.77
Rot. Bonds4

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

1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol (PubChem CID 3753227) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
PubChem CID3753227
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol
SMILESOC(CN1CCC(c2cc(-c3ccco3)n[nH]2)CC1)C(F)(F)F
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)14(22)9-21-5-3-10(4-6-21)11-8-12(20-19-11)13-2-1-7-23-13/h1-2,7-8,10,14,22H,3-6,9H2,(H,19,20)
InChIKeySCHOMSDDNHJGIO-UHFFFAOYSA-N
XLogP2.77
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.77
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-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol (CID 3753227) is 1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol is OC(CN1CCC(c2cc(-c3ccco3)n[nH]2)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
The InChIKey is SCHOMSDDNHJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)14(22)9-21-5-3-10(4-6-21)11-8-12(20-19-11)13-2-1-7-23-13/h1-2,7-8,10,14,22H,3-6,9H2,(H,19,20).
What are the key properties of 1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol has a molecular weight of 329.32 g/mol, XLogP of 2.77, 4 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-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 3753227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).