[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol

C23H26FN3O2 — CID 70766306

IUPAC[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-29-20-9-10-21(22(24)12-20)23-18(14-26-11-5-6-17(13-26)16-28)15-27(25-23)19-7-3-2-4-8-19/h2-4,7-10,12,15,17,28H,5-6,11,13-14,16H2,1H3
InChIKeyRXJGPELSCZSBGC-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.89
Rot. Bonds6

About [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol

[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol (PubChem CID 70766306) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol
PubChem CID70766306
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-29-20-9-10-21(22(24)12-20)23-18(14-26-11-5-6-17(13-26)16-28)15-27(25-23)19-7-3-2-4-8-19/h2-4,7-10,12,15,17,28H,5-6,11,13-14,16H2,1H3
InChIKeyRXJGPELSCZSBGC-UHFFFAOYSA-N
XLogP3.89
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-methoxyphenyl)ethan-1-ol
CID 10002931
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluoro-3-methoxyphenyl)methanol
CID 10478173
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](3,4-difluoro-5-methoxyphenyl)methanol
CID 11305564
({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
(3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 2060907
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
(1S)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]ethanol
CID 164621667
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol (CID 70766306) is [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol is COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(CO)C2)c(F)c1.
What is the InChIKey of [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is RXJGPELSCZSBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-29-20-9-10-21(22(24)12-20)23-18(14-26-11-5-6-17(13-26)16-28)15-27(25-23)19-7-3-2-4-8-19/h2-4,7-10,12,15,17,28H,5-6,11,13-14,16H2,1H3.
What are the key properties of [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol?
[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 395.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 70766306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).