[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C19H22F3N3O — CID 44629407

IUPAC[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCn1cc(CN2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C19H22F3N3O/c1-2-25-12-14(10-23-25)11-24-8-4-6-16(13-24)18(26)15-5-3-7-17(9-15)19(20,21)22/h3,5,7,9-10,12,16H,2,4,6,8,11,13H2,1H3
InChIKeyJAFIERFWYHDPAD-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.02
Rot. Bonds5

About [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 44629407) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID44629407
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCCn1cc(CN2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C19H22F3N3O/c1-2-25-12-14(10-23-25)11-24-8-4-6-16(13-24)18(26)15-5-3-7-17(9-15)19(20,21)22/h3,5,7,9-10,12,16H,2,4,6,8,11,13H2,1H3
InChIKeyJAFIERFWYHDPAD-UHFFFAOYSA-N
XLogP4.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 44629407) is [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is CCn1cc(CN2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is JAFIERFWYHDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-2-25-12-14(10-23-25)11-24-8-4-6-16(13-24)18(26)15-5-3-7-17(9-15)19(20,21)22/h3,5,7,9-10,12,16H,2,4,6,8,11,13H2,1H3.
What are the key properties of [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 365.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 44629407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).