[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone

C16H14F3N3O2 — CID 100620379

IUPAC[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)13-4-2-1-3-12(13)14-7-11(23)9-22(14)15(24)10-5-6-20-21-8-10/h1-6,8,11,14,23H,7,9H2/t11-,14-/m0/s1
InChIKeyRHYNKMSFCLVSCU-FZMZJTMJSA-N
MW337.30 g/mol
LogP2.44
Rot. Bonds2

About [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone

[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 100620379) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID100620379
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)13-4-2-1-3-12(13)14-7-11(23)9-22(14)15(24)10-5-6-20-21-8-10/h1-6,8,11,14,23H,7,9H2/t11-,14-/m0/s1
InChIKeyRHYNKMSFCLVSCU-FZMZJTMJSA-N
XLogP2.44
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-3-pyridinyl)-[(2S,4R)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 129479989
[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 125140177
4-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129480013
[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129479978
2-hydroxy-1-[(2R,4R)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129480071
2-hydroxy-1-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129480068
[(2S,4R)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124738822
[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124738824
(1,5-dimethylpyrrol-2-yl)-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 100618388
[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 100619384
[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 128963952
[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 128989882

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone (CID 100620379) is [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is RHYNKMSFCLVSCU-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)13-4-2-1-3-12(13)14-7-11(23)9-22(14)15(24)10-5-6-20-21-8-10/h1-6,8,11,14,23H,7,9H2/t11-,14-/m0/s1.
What are the key properties of [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone?
[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 337.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 100620379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).