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

C14H20F3N3O — CID 56718824

IUPAC3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)c1cc(C2CCN(C(=O)CC(F)(F)F)CC2)[nH]n1
InChIInChI=1S/C14H20F3N3O/c1-9(2)11-7-12(19-18-11)10-3-5-20(6-4-10)13(21)8-14(15,16)17/h7,9-10H,3-6,8H2,1-2H3,(H,18,19)
InChIKeySQYWHOZADOLADD-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.19
Rot. Bonds3

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

3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 56718824) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID56718824
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)c1cc(C2CCN(C(=O)CC(F)(F)F)CC2)[nH]n1
InChIInChI=1S/C14H20F3N3O/c1-9(2)11-7-12(19-18-11)10-3-5-20(6-4-10)13(21)8-14(15,16)17/h7,9-10H,3-6,8H2,1-2H3,(H,18,19)
InChIKeySQYWHOZADOLADD-UHFFFAOYSA-N
XLogP3.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 56718824) is 3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is CC(C)c1cc(C2CCN(C(=O)CC(F)(F)F)CC2)[nH]n1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is SQYWHOZADOLADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-9(2)11-7-12(19-18-11)10-3-5-20(6-4-10)13(21)8-14(15,16)17/h7,9-10H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 303.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56718824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).