2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone

C11H13ClF3N3O — CID 175711538

IUPAC2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nc(C(F)(F)F)cc1Cl)N1CCCCC1
InChIInChI=1S/C11H13ClF3N3O/c12-9-6-8(11(13,14)15)16-18(9)7-10(19)17-4-2-1-3-5-17/h6H,1-5,7H2
InChIKeySSKNIEXWAWCWKL-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.57
Rot. Bonds2

About 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone

2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 175711538) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID175711538
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nc(C(F)(F)F)cc1Cl)N1CCCCC1
InChIInChI=1S/C11H13ClF3N3O/c12-9-6-8(11(13,14)15)16-18(9)7-10(19)17-4-2-1-3-5-17/h6H,1-5,7H2
InChIKeySSKNIEXWAWCWKL-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone (CID 175711538) is 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone is O=C(Cn1nc(C(F)(F)F)cc1Cl)N1CCCCC1.
What is the InChIKey of 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is SSKNIEXWAWCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c12-9-6-8(11(13,14)15)16-18(9)7-10(19)17-4-2-1-3-5-17/h6H,1-5,7H2.
What are the key properties of 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone?
2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 295.69 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 175711538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).