[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol

C17H22FN3O2 — CID 42528358

IUPAC[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol
SMILESCOc1ccc(-c2[nH]ncc2CN2CCCC[C@@H]2CO)cc1F
InChIInChI=1S/C17H22FN3O2/c1-23-16-6-5-12(8-15(16)18)17-13(9-19-20-17)10-21-7-3-2-4-14(21)11-22/h5-6,8-9,14,22H,2-4,7,10-11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyZNARNXNHWUJGIV-CQSZACIVSA-N
MW319.38 g/mol
LogP2.57
Rot. Bonds5

About [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol

[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol (PubChem CID 42528358) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol
PubChem CID42528358
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol
SMILESCOc1ccc(-c2[nH]ncc2CN2CCCC[C@@H]2CO)cc1F
InChIInChI=1S/C17H22FN3O2/c1-23-16-6-5-12(8-15(16)18)17-13(9-19-20-17)10-21-7-3-2-4-14(21)11-22/h5-6,8-9,14,22H,2-4,7,10-11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyZNARNXNHWUJGIV-CQSZACIVSA-N
XLogP2.57
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 74233978
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CID 62733109
1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 56713825
5-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 56743322
[(2R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 99960060
(2R)-2-(1-methylimidazol-2-yl)-1-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42530358
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
CID 42098553
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
2-[(2S)-1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol
CID 95889035
[1-(3-fluoro-4-methoxyphenyl)sulfonylazepan-2-yl]methanol
CID 116636614

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol (CID 42528358) is [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol is COc1ccc(-c2[nH]ncc2CN2CCCC[C@@H]2CO)cc1F.
What is the InChIKey of [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is ZNARNXNHWUJGIV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-23-16-6-5-12(8-15(16)18)17-13(9-19-20-17)10-21-7-3-2-4-14(21)11-22/h5-6,8-9,14,22H,2-4,7,10-11H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol?
[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 319.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 42528358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).