[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C13H18F3N3O2 — CID 71865134

IUPAC[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3O2/c1-8-10(9(2)18(3)17-8)11(20)19-6-4-5-12(21,7-19)13(14,15)16/h21H,4-7H2,1-3H3
InChIKeyBWYSOLFGMNUEES-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.57
Rot. Bonds1

About [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 71865134) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID71865134
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3O2/c1-8-10(9(2)18(3)17-8)11(20)19-6-4-5-12(21,7-19)13(14,15)16/h21H,4-7H2,1-3H3
InChIKeyBWYSOLFGMNUEES-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 71865134) is [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is BWYSOLFGMNUEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8-10(9(2)18(3)17-8)11(20)19-6-4-5-12(21,7-19)13(14,15)16/h21H,4-7H2,1-3H3.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 305.30 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 71865134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).