(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol

C22H24FN3O2 — CID 95876935

IUPAC(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-n2cc(CN3CCC[C@H](O)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C22H24FN3O2/c1-28-21-9-7-19(8-10-21)26-14-17(13-25-11-3-6-20(27)15-25)22(24-26)16-4-2-5-18(23)12-16/h2,4-5,7-10,12,14,20,27H,3,6,11,13,15H2,1H3/t20-/m0/s1
InChIKeyNVYAMAWHWHXSHV-FQEVSTJZSA-N
MW381.45 g/mol
LogP3.64
Rot. Bonds5

About (3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol

(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol (PubChem CID 95876935) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
PubChem CID95876935
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-n2cc(CN3CCC[C@H](O)C3)c(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C22H24FN3O2/c1-28-21-9-7-19(8-10-21)26-14-17(13-25-11-3-6-20(27)15-25)22(24-26)16-4-2-5-18(23)12-16/h2,4-5,7-10,12,14,20,27H,3,6,11,13,15H2,1H3/t20-/m0/s1
InChIKeyNVYAMAWHWHXSHV-FQEVSTJZSA-N
XLogP3.64
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 51634375
1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 70711620
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 45222602
(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 26406111
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
CID 42567707
methyl 4-[[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methylamino]methyl]benzoate
CID 42512571
2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
CID 42482527
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 28667611
1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
CID 70785675
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42275447
(3S)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863282

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol (CID 95876935) is (3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol is COc1ccc(-n2cc(CN3CCC[C@H](O)C3)c(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of (3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is NVYAMAWHWHXSHV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-28-21-9-7-19(8-10-21)26-14-17(13-25-11-3-6-20(27)15-25)22(24-26)16-4-2-5-18(23)12-16/h2,4-5,7-10,12,14,20,27H,3,6,11,13,15H2,1H3/t20-/m0/s1.
What are the key properties of (3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 381.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 95876935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).