[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone

C19H24FN3O2 — CID 129481689

IUPAC[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone
SMILESCCC(CC)n1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)n1
InChIInChI=1S/C19H24FN3O2/c1-3-15(4-2)23-9-8-17(21-23)19(25)22-12-16(24)11-18(22)13-6-5-7-14(20)10-13/h5-10,15-16,18,24H,3-4,11-12H2,1-2H3/t16-,18-/m0/s1
InChIKeySQBIGHZXXQLPDZ-WMZOPIPTSA-N
MW345.42 g/mol
LogP3.33
Rot. Bonds5

About [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone

[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone (PubChem CID 129481689) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone
PubChem CID129481689
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone
SMILESCCC(CC)n1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)n1
InChIInChI=1S/C19H24FN3O2/c1-3-15(4-2)23-9-8-17(21-23)19(25)22-12-16(24)11-18(22)13-6-5-7-14(20)10-13/h5-10,15-16,18,24H,3-4,11-12H2,1-2H3/t16-,18-/m0/s1
InChIKeySQBIGHZXXQLPDZ-WMZOPIPTSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone
CID 100670956
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129482041
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 129481668
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 128990290
(2,6-dimethylpyrimidin-4-yl)-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100719228
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 129481755
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 129350313
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 129481779
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-propylhexan-1-one
CID 129481580
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methyl-1-propan-2-ylpyrazol-4-yl)methanone
CID 129346282
(3-ethyl-6-methylpyridazin-4-yl)-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129481641
(1,3-dimethylpyrrol-2-yl)-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 128990038

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone?
The IUPAC name of [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone (CID 129481689) is [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone is CCC(CC)n1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)n1.
What is the InChIKey of [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone?
The InChIKey is SQBIGHZXXQLPDZ-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-3-15(4-2)23-9-8-17(21-23)19(25)22-12-16(24)11-18(22)13-6-5-7-14(20)10-13/h5-10,15-16,18,24H,3-4,11-12H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone?
[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone has a molecular weight of 345.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 129481689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).