1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C17H16F3N5O2 — CID 126945176

IUPAC1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)14-4-3-11(6-21-14)16(27)23-8-13(9-23)25-10-12(7-22-25)24-5-1-2-15(24)26/h3-4,6-7,10,13H,1-2,5,8-9H2
InChIKeyTZYKLRLCLBQNPZ-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.12
Rot. Bonds3

About 1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945176) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126945176
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)14-4-3-11(6-21-14)16(27)23-8-13(9-23)25-10-12(7-22-25)24-5-1-2-15(24)26/h3-4,6-7,10,13H,1-2,5,8-9H2
InChIKeyTZYKLRLCLBQNPZ-UHFFFAOYSA-N
XLogP2.12
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945566
1-[1-[1-(1H-indole-6-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945200
[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126946750
1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945573
1-[1-[1-(1H-imidazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945209
1-[1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945205
1-[1-[1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948144
1-[1-[1-(2-methyl-1,3-oxazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945247
1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945193
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899694
1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945180

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945176) is 1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C(c1ccc(C(F)(F)F)nc1)N1CC(n2cc(N3CCCC3=O)cn2)C1.
What is the InChIKey of 1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is TZYKLRLCLBQNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)14-4-3-11(6-21-14)16(27)23-8-13(9-23)25-10-12(7-22-25)24-5-1-2-15(24)26/h3-4,6-7,10,13H,1-2,5,8-9H2.
What are the key properties of 1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 379.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).