4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one

C9H10F3N3O2 — CID 168702803

IUPAC4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one
SMILESCn1nc(C(F)(F)F)cc1N1CC(O)CC1=O
InChIInChI=1S/C9H10F3N3O2/c1-14-7(3-6(13-14)9(10,11)12)15-4-5(16)2-8(15)17/h3,5,16H,2,4H2,1H3
InChIKeyCPNRUSCBDANECW-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.54
Rot. Bonds1

About 4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one

4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one (PubChem CID 168702803) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one
PubChem CID168702803
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one
SMILESCn1nc(C(F)(F)F)cc1N1CC(O)CC1=O
InChIInChI=1S/C9H10F3N3O2/c1-14-7(3-6(13-14)9(10,11)12)15-4-5(16)2-8(15)17/h3,5,16H,2,4H2,1H3
InChIKeyCPNRUSCBDANECW-UHFFFAOYSA-N
XLogP0.54
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one (CID 168702803) is 4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one is Cn1nc(C(F)(F)F)cc1N1CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one?
The InChIKey is CPNRUSCBDANECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-14-7(3-6(13-14)9(10,11)12)15-4-5(16)2-8(15)17/h3,5,16H,2,4H2,1H3.
What are the key properties of 4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one?
4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one has a molecular weight of 249.19 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 168702803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).