2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone

C19H22F3N3O — CID 50979324

IUPAC2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)17-7-2-1-6-16(17)9-8-15-5-3-11-24(13-15)18(26)14-25-12-4-10-23-25/h1-2,4,6-7,10,12,15H,3,5,8-9,11,13-14H2
InChIKeyGTSHLXWYZUJCMJ-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.77
Rot. Bonds5

About 2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone

2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone (PubChem CID 50979324) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
PubChem CID50979324
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H22F3N3O/c20-19(21,22)17-7-2-1-6-16(17)9-8-15-5-3-11-24(13-15)18(26)14-25-12-4-10-23-25/h1-2,4,6-7,10,12,15H,3,5,8-9,11,13-14H2
InChIKeyGTSHLXWYZUJCMJ-UHFFFAOYSA-N
XLogP3.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone (CID 50979324) is 2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone is O=C(Cn1cccn1)N1CCCC(CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is GTSHLXWYZUJCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c20-19(21,22)17-7-2-1-6-16(17)9-8-15-5-3-11-24(13-15)18(26)14-25-12-4-10-23-25/h1-2,4,6-7,10,12,15H,3,5,8-9,11,13-14H2.
What are the key properties of 2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone?
2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 365.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50979324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).