2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one

C10H14F3N3O — CID 146485613

IUPAC2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)C(F)F)[nH]n1C1CCNCC1
InChIInChI=1S/C10H14F3N3O/c11-9(10(12)13)7-5-8(17)16(15-7)6-1-3-14-4-2-6/h5-6,9-10,14-15H,1-4H2
InChIKeyJOFLBVAUIOJCBW-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.38
Rot. Bonds3

About 2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one

2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one (PubChem CID 146485613) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one
PubChem CID146485613
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one
SMILESO=c1cc(C(F)C(F)F)[nH]n1C1CCNCC1
InChIInChI=1S/C10H14F3N3O/c11-9(10(12)13)7-5-8(17)16(15-7)6-1-3-14-4-2-6/h5-6,9-10,14-15H,1-4H2
InChIKeyJOFLBVAUIOJCBW-UHFFFAOYSA-N
XLogP1.38
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-5-(difluoromethyl)-1H-pyrazol-3-one
CID 99110856
1-piperidin-4-yl-2H-indazol-3-one
CID 84682978
5-(1-aminopropan-2-yl)-2-(oxan-4-yl)-1H-pyrazol-3-one
CID 83892206
5-amino-2-cyclohexyl-1H-pyrazol-3-one
CID 46318268
2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 105461939
2-cyclopentyl-3-oxo-1H-pyrazole-5-carboxylic acid
CID 67363791
1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride
CID 20556253
2-(oxan-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 155450961
2-cyclopentyl-5-ethyl-1H-pyrazol-3-one
CID 66020467
2-methyl-6-piperidin-4-yl-3H-pyrido[3,4-d]pyridazine-1,4,7-trione
CID 166147588
5-tert-butyl-2-cyclohexyl-1H-pyrazol-3-one
CID 66021285
2-cyclopropyl-5-(propan-2-ylsulfonylmethyl)-1H-pyrazol-3-one
CID 70588924

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one (CID 146485613) is 2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one is O=c1cc(C(F)C(F)F)[nH]n1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one?
The InChIKey is JOFLBVAUIOJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-9(10(12)13)7-5-8(17)16(15-7)6-1-3-14-4-2-6/h5-6,9-10,14-15H,1-4H2.
What are the key properties of 2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one?
2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one has a molecular weight of 249.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5-(1,2,2-trifluoroethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 146485613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).