1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C16H21F3N4O2 — CID 70758694

IUPAC1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCCCN1C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)13-10-12(20-21-13)15(25)23-8-2-1-4-11(23)6-9-22-7-3-5-14(22)24/h10-11H,1-9H2,(H,20,21)
InChIKeyFJOBCTQQOJNWNK-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 70758694) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID70758694
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCCCN1C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)13-10-12(20-21-13)15(25)23-8-2-1-4-11(23)6-9-22-7-3-5-14(22)24/h10-11H,1-9H2,(H,20,21)
InChIKeyFJOBCTQQOJNWNK-UHFFFAOYSA-N
XLogP2.44
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 146103274
1-[2-[(2S)-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97041667
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91773356
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 124751149
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609321
2-methyl-6-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98268255
1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 131923446
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70741060
(5-methyl-1H-pyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70778532
methyl 3-methoxy-5-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]benzoate
CID 72864584
1-[2-[1-(3-chloro-1H-indole-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 72840028
1-[2-[1-(3-chloro-4-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70751833

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 70758694) is 1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CCCCN1C(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is FJOBCTQQOJNWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c17-16(18,19)13-10-12(20-21-13)15(25)23-8-2-1-4-11(23)6-9-22-7-3-5-14(22)24/h10-11H,1-9H2,(H,20,21).
What are the key properties of 1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 358.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70758694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).