5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol

C17H22FN3O2 — CID 128975913

IUPAC5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCOCCn1cc(CN2CC(O)CC2c2cccc(F)c2)cn1
InChIInChI=1S/C17H22FN3O2/c1-23-6-5-21-11-13(9-19-21)10-20-12-16(22)8-17(20)14-3-2-4-15(18)7-14/h2-4,7,9,11,16-17,22H,5-6,8,10,12H2,1H3
InChIKeyFQGJWIJGMPBIJM-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.98
Rot. Bonds6

About 5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol

5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 128975913) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID128975913
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCOCCn1cc(CN2CC(O)CC2c2cccc(F)c2)cn1
InChIInChI=1S/C17H22FN3O2/c1-23-6-5-21-11-13(9-19-21)10-20-12-16(22)8-17(20)14-3-2-4-15(18)7-14/h2-4,7,9,11,16-17,22H,5-6,8,10,12H2,1H3
InChIKeyFQGJWIJGMPBIJM-UHFFFAOYSA-N
XLogP1.98
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 167793030
(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129480618
(3S,5R)-1-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480686
(3R,5R)-1-[(1-methylpyrazol-4-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129471270
(3R,5R)-5-(3,4-difluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 129350923
(3R,5R)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480964
3-[[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 129480696
4-[[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129480577
(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480762
(3S,5S)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480760
5-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidin-3-ol
CID 128964231
1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol;hydrochloride
CID 120905747

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol (CID 128975913) is 5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol is COCCn1cc(CN2CC(O)CC2c2cccc(F)c2)cn1.
What is the InChIKey of 5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is FQGJWIJGMPBIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-23-6-5-21-11-13(9-19-21)10-20-12-16(22)8-17(20)14-3-2-4-15(18)7-14/h2-4,7,9,11,16-17,22H,5-6,8,10,12H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 319.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 128975913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).