4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine

C21H21F2N3O — CID 166090519

IUPAC4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine
SMILESOn1cc(C2CCNCC2)c(Cc2ccc(-c3cc(F)cc(F)c3)cc2)n1
InChIInChI=1S/C21H21F2N3O/c22-18-10-17(11-19(23)12-18)15-3-1-14(2-4-15)9-21-20(13-26(27)25-21)16-5-7-24-8-6-16/h1-4,10-13,16,24,27H,5-9H2
InChIKeyDHOZLMDQFFPVHC-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.12
Rot. Bonds4

About 4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine

4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine (PubChem CID 166090519) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine
PubChem CID166090519
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine
SMILESOn1cc(C2CCNCC2)c(Cc2ccc(-c3cc(F)cc(F)c3)cc2)n1
InChIInChI=1S/C21H21F2N3O/c22-18-10-17(11-19(23)12-18)15-3-1-14(2-4-15)9-21-20(13-26(27)25-21)16-5-7-24-8-6-16/h1-4,10-13,16,24,27H,5-9H2
InChIKeyDHOZLMDQFFPVHC-UHFFFAOYSA-N
XLogP4.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(3-benzyl-1-hydroxypyrazol-4-yl)piperidine
CID 46204538
4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090460
4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 177245975
4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090482
4-[(4-fluorophenyl)methyl]-2-piperidin-4-ylpyridine
CID 95844382
4-[3-[(4-fluorophenyl)methyl]-1-propylpyrazol-5-yl]piperidine
CID 18187705
5-fluoro-2-piperidin-4-ylaniline
CID 117103758
2-(4-fluorophenyl)-5-piperidin-4-yl-1,3-thiazole
CID 118426930
4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine
CID 110090018
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400
4-(2-bromo-5-fluorophenyl)piperidine
CID 84709377
1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone
CID 22370275

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine?
The IUPAC name of 4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine (CID 166090519) is 4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine?
The canonical SMILES for 4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine is On1cc(C2CCNCC2)c(Cc2ccc(-c3cc(F)cc(F)c3)cc2)n1.
What is the InChIKey of 4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine?
The InChIKey is DHOZLMDQFFPVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c22-18-10-17(11-19(23)12-18)15-3-1-14(2-4-15)9-21-20(13-26(27)25-21)16-5-7-24-8-6-16/h1-4,10-13,16,24,27H,5-9H2.
What are the key properties of 4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine?
4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine has a molecular weight of 369.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine is sourced from PubChem (CID 166090519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).