5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide

C22H22F2N4O2 — CID 156574677

IUPAC5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
SMILESO=C(NCc1cc(-c2cc(F)ccc2O)n[nH]1)c1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C22H22F2N4O2/c23-14-4-6-20(28-8-2-1-3-9-28)18(11-14)22(30)25-13-16-12-19(27-26-16)17-10-15(24)5-7-21(17)29/h4-7,10-12,29H,1-3,8-9,13H2,(H,25,30)(H,26,27)
InChIKeyYAHRSBIWPMQMGB-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.98
Rot. Bonds5

About 5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide

5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide (PubChem CID 156574677) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
PubChem CID156574677
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
SMILESO=C(NCc1cc(-c2cc(F)ccc2O)n[nH]1)c1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C22H22F2N4O2/c23-14-4-6-20(28-8-2-1-3-9-28)18(11-14)22(30)25-13-16-12-19(27-26-16)17-10-15(24)5-7-21(17)29/h4-7,10-12,29H,1-3,8-9,13H2,(H,25,30)(H,26,27)
InChIKeyYAHRSBIWPMQMGB-UHFFFAOYSA-N
XLogP3.98
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 156574687
4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol
CID 153039721
N-[[3-(4-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 166635995
N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 163547227
N-[[3-(2,5-difluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 62112347
5-fluoro-2-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115681921
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
5-(ethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065616
N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 55595706
5-fluoro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115673246
5-(3,3-dimethylbutanoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1063548
N-[4-(aminomethyl)phenyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide
CID 167442574

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide (CID 156574677) is 5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide is O=C(NCc1cc(-c2cc(F)ccc2O)n[nH]1)c1cc(F)ccc1N1CCCCC1.
What is the InChIKey of 5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is YAHRSBIWPMQMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-14-4-6-20(28-8-2-1-3-9-28)18(11-14)22(30)25-13-16-12-19(27-26-16)17-10-15(24)5-7-21(17)29/h4-7,10-12,29H,1-3,8-9,13H2,(H,25,30)(H,26,27).
What are the key properties of 5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 412.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 156574677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).