[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

C20H22FN3OS — CID 131904673

IUPAC[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESOC(c1cccs1)C1CCN(Cc2cc(F)ccc2-n2cccn2)CC1
InChIInChI=1S/C20H22FN3OS/c21-17-4-5-18(24-9-2-8-22-24)16(13-17)14-23-10-6-15(7-11-23)20(25)19-3-1-12-26-19/h1-5,8-9,12-13,15,20,25H,6-7,10-11,14H2
InChIKeyMAHOMORFRNGNTE-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.02
Rot. Bonds5

About [1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 131904673) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is [1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
PubChem CID131904673
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC Name[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESOC(c1cccs1)C1CCN(Cc2cc(F)ccc2-n2cccn2)CC1
InChIInChI=1S/C20H22FN3OS/c21-17-4-5-18(24-9-2-8-22-24)16(13-17)14-23-10-6-15(7-11-23)20(25)19-3-1-12-26-19/h1-5,8-9,12-13,15,20,25H,6-7,10-11,14H2
InChIKeyMAHOMORFRNGNTE-UHFFFAOYSA-N
XLogP4.02
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137341336
(3S,4S)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113021
(R)-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 95128111
4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 156608964
[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 135106200
2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 45179635
2-[(2R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98588112
(1S,3R)-3-(2-aminoethoxy)-7-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 133139128
[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 50952555
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97155043
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 131927341

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of [1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol (CID 131904673) is [1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol is OC(c1cccs1)C1CCN(Cc2cc(F)ccc2-n2cccn2)CC1.
What is the InChIKey of [1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The InChIKey is MAHOMORFRNGNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c21-17-4-5-18(24-9-2-8-22-24)16(13-17)14-23-10-6-15(7-11-23)20(25)19-3-1-12-26-19/h1-5,8-9,12-13,15,20,25H,6-7,10-11,14H2.
What are the key properties of [1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 371.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 131904673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).