2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol

C15H18FN3O — CID 125018471

IUPAC2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol
SMILESOCCN1CCC[C@H]1c1[nH]ncc1-c1ccccc1F
InChIInChI=1S/C15H18FN3O/c16-13-5-2-1-4-11(13)12-10-17-18-15(12)14-6-3-7-19(14)8-9-20/h1-2,4-5,10,14,20H,3,6-9H2,(H,17,18)/t14-/m0/s1
InChIKeyXOYICFBYNDLDDJ-AWEZNQCLSA-N
MW275.33 g/mol
LogP2.35
Rot. Bonds4

About 2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol

2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol (PubChem CID 125018471) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol
PubChem CID125018471
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol
SMILESOCCN1CCC[C@H]1c1[nH]ncc1-c1ccccc1F
InChIInChI=1S/C15H18FN3O/c16-13-5-2-1-4-11(13)12-10-17-18-15(12)14-6-3-7-19(14)8-9-20/h1-2,4-5,10,14,20H,3,6-9H2,(H,17,18)/t14-/m0/s1
InChIKeyXOYICFBYNDLDDJ-AWEZNQCLSA-N
XLogP2.35
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-[(2R)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 95840241
1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 110149794
(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 125002523
2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 124978760
4-(2-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1H-pyrazole
CID 95730730
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
4-(2-fluorophenoxy)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 92573114
(4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95840145
2-(4-methyl-1H-pyrazol-5-yl)-1-(3,3,3-trifluoropropyl)piperidine
CID 73439874
4-(3-methoxyphenyl)-5-[1-(2-phenoxyethyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110268772
N,N-dimethyl-5-[1-(2-phenylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110250337

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol (CID 125018471) is 2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol is OCCN1CCC[C@H]1c1[nH]ncc1-c1ccccc1F.
What is the InChIKey of 2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol?
The InChIKey is XOYICFBYNDLDDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-5-2-1-4-11(13)12-10-17-18-15(12)14-6-3-7-19(14)8-9-20/h1-2,4-5,10,14,20H,3,6-9H2,(H,17,18)/t14-/m0/s1.
What are the key properties of 2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol?
2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol has a molecular weight of 275.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 125018471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).