(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol

C16H20FN3O — CID 129426151

IUPAC(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC[C@H]1Cn1cccn1)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O/c17-14-5-1-4-13(10-14)16(21)12-19-8-2-6-15(19)11-20-9-3-7-18-20/h1,3-5,7,9-10,15-16,21H,2,6,8,11-12H2/t15-,16-/m0/s1
InChIKeyFQOXCHXGNRJQQN-HOTGVXAUSA-N
MW289.35 g/mol
LogP2.22
Rot. Bonds5

About (1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol

(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol (PubChem CID 129426151) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol
PubChem CID129426151
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC[C@H]1Cn1cccn1)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O/c17-14-5-1-4-13(10-14)16(21)12-19-8-2-6-15(19)11-20-9-3-7-18-20/h1,3-5,7,9-10,15-16,21H,2,6,8,11-12H2/t15-,16-/m0/s1
InChIKeyFQOXCHXGNRJQQN-HOTGVXAUSA-N
XLogP2.22
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95343853
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 129448916
1-[(2R)-2-[(2S)-1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315418
(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95308653
(1S)-1-(3-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 98757362
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426746
(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95610412
(1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95609211
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426117
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
(3S)-3-(3-fluorophenyl)-3-hydroxy-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 99634256
(1S)-1-(2,4-difluorophenyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 129426169

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol (CID 129426151) is (1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol is O[C@@H](CN1CCC[C@H]1Cn1cccn1)c1cccc(F)c1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is FQOXCHXGNRJQQN-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-14-5-1-4-13(10-14)16(21)12-19-8-2-6-15(19)11-20-9-3-7-18-20/h1,3-5,7,9-10,15-16,21H,2,6,8,11-12H2/t15-,16-/m0/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol?
(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 289.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 129426151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).