2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

C16H23F3N4O — CID 86783988

IUPAC2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CC1
InChIInChI=1S/C16H23F3N4O/c1-2-21(12-3-4-12)11-15(24)22-8-5-13(6-9-22)23-10-7-14(20-23)16(17,18)19/h7,10,12-13H,2-6,8-9,11H2,1H3
InChIKeyZGXHBDHQFCAJTB-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.55
Rot. Bonds5

About 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 86783988) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID86783988
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CC1
InChIInChI=1S/C16H23F3N4O/c1-2-21(12-3-4-12)11-15(24)22-8-5-13(6-9-22)23-10-7-14(20-23)16(17,18)19/h7,10,12-13H,2-6,8-9,11H2,1H3
InChIKeyZGXHBDHQFCAJTB-UHFFFAOYSA-N
XLogP2.55
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 120705849
3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 136521345
2-(1-phenylpyrazol-4-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166203581
1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 75499504
[5-(hydroxymethyl)-3-methylfuran-2-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 126797647
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166285321
[(1S,2R,5R)-3-azabicyclo[3.1.0]hexan-2-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 139021938
N-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 55674149
(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 126815509
2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79115346
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 43393908
1,3-benzothiazol-2-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203897

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 86783988) is 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is CCN(CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is ZGXHBDHQFCAJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-2-21(12-3-4-12)11-15(24)22-8-5-13(6-9-22)23-10-7-14(20-23)16(17,18)19/h7,10,12-13H,2-6,8-9,11H2,1H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 344.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 86783988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).