1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C18H17F3N4O2 — CID 126945566

IUPAC1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccccc1C(F)(F)F)N1CC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)15-5-2-1-4-14(15)17(27)23-9-13(10-23)25-11-12(8-22-25)24-7-3-6-16(24)26/h1-2,4-5,8,11,13H,3,6-7,9-10H2
InChIKeyWITNRHNNEYHKJT-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.73
Rot. Bonds3

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

1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945566) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126945566
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccccc1C(F)(F)F)N1CC(n2cc(N3CCCC3=O)cn2)C1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)15-5-2-1-4-14(15)17(27)23-9-13(10-23)25-11-12(8-22-25)24-7-3-6-16(24)26/h1-2,4-5,8,11,13H,3,6-7,9-10H2
InChIKeyWITNRHNNEYHKJT-UHFFFAOYSA-N
XLogP2.73
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946277
1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945176
1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945180
1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945573
4-[3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 126945157
1-[1-[1-(1H-imidazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945209
1-[1-[1-(1H-indole-6-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945200
1-[1-[1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948144
1-[1-[1-(1-methylindazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948210
1-[1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945205
1-[1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945193
1-[1-[1-(2-methyl-1,3-oxazole-4-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945247

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945566) is 1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C(c1ccccc1C(F)(F)F)N1CC(n2cc(N3CCCC3=O)cn2)C1.
What is the InChIKey of 1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is WITNRHNNEYHKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)15-5-2-1-4-14(15)17(27)23-9-13(10-23)25-11-12(8-22-25)24-7-3-6-16(24)26/h1-2,4-5,8,11,13H,3,6-7,9-10H2.
What are the key properties of 1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 378.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).