(1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C13H18F3N3O — CID 70761604

IUPAC(1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC(C)n1cc(C(=O)N2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H18F3N3O/c1-9(2)19-8-10(7-17-19)12(20)18-5-3-11(4-6-18)13(14,15)16/h7-9,11H,3-6H2,1-2H3
InChIKeyXBSHHRMEWJGRML-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.88
Rot. Bonds2

About (1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 70761604) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is (1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID70761604
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name(1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC(C)n1cc(C(=O)N2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H18F3N3O/c1-9(2)19-8-10(7-17-19)12(20)18-5-3-11(4-6-18)13(14,15)16/h7-9,11H,3-6H2,1-2H3
InChIKeyXBSHHRMEWJGRML-UHFFFAOYSA-N
XLogP2.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 70761604) is (1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is CC(C)n1cc(C(=O)N2CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of (1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is XBSHHRMEWJGRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-9(2)19-8-10(7-17-19)12(20)18-5-3-11(4-6-18)13(14,15)16/h7-9,11H,3-6H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 289.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrazol-4-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70761604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).