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

C12H16F3N3O2 — CID 122633451

IUPAC2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C(F)(F)F)nn1C1CCN(C(=O)C(C)O)C1
InChIInChI=1S/C12H16F3N3O2/c1-7-5-10(12(13,14)15)16-18(7)9-3-4-17(6-9)11(20)8(2)19/h5,8-9,19H,3-4,6H2,1-2H3
InChIKeyDDQPUUILJMFRMP-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.36
Rot. Bonds2

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

2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 122633451) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID122633451
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C(F)(F)F)nn1C1CCN(C(=O)C(C)O)C1
InChIInChI=1S/C12H16F3N3O2/c1-7-5-10(12(13,14)15)16-18(7)9-3-4-17(6-9)11(20)8(2)19/h5,8-9,19H,3-4,6H2,1-2H3
InChIKeyDDQPUUILJMFRMP-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 813457
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 53624049
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydroisoxazole-5-carboxamide
CID 56870642
3,5-dimethyl-1-{1-[(2,2,3,3-tetrafluoropropoxy)acetyl]pyrrolidin-3-yl}-1H-pyrazole
CID 91791616
4-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}morpholine
CID 4769361
1-(4-Hydroxypiperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 117679938
1-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 122633445
2-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
CID 122633509
2-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propanoic acid
CID 122633510
2-Hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 122633513
2-Hydroxy-1-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 122633514
1-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
CID 122633557

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one (CID 122633451) is 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one is Cc1cc(C(F)(F)F)nn1C1CCN(C(=O)C(C)O)C1.
What is the InChIKey of 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is DDQPUUILJMFRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-7-5-10(12(13,14)15)16-18(7)9-3-4-17(6-9)11(20)8(2)19/h5,8-9,19H,3-4,6H2,1-2H3.
What are the key properties of 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one?
2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 291.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 122633451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).