1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol

C23H26FN3O2 — CID 70743051

IUPAC1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(C)(O)C2)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-23(28)11-6-12-26(16-23)14-17-15-27(18-7-4-3-5-8-18)25-22(17)20-10-9-19(29-2)13-21(20)24/h3-5,7-10,13,15,28H,6,11-12,14,16H2,1-2H3
InChIKeyJGPWTTHNOSTZLD-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.03
Rot. Bonds5

About 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol

1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol (PubChem CID 70743051) 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]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol
PubChem CID70743051
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(C)(O)C2)c(F)c1
InChIInChI=1S/C23H26FN3O2/c1-23(28)11-6-12-26(16-23)14-17-15-27(18-7-4-3-5-8-18)25-22(17)20-10-9-19(29-2)13-21(20)24/h3-5,7-10,13,15,28H,6,11-12,14,16H2,1-2H3
InChIKeyJGPWTTHNOSTZLD-UHFFFAOYSA-N
XLogP4.03
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.03
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
({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
Jnj-42259152
CID 51353528
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
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol (CID 70743051) is 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol is COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCCC(C)(O)C2)c(F)c1.
What is the InChIKey of 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The InChIKey is JGPWTTHNOSTZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-23(28)11-6-12-26(16-23)14-17-15-27(18-7-4-3-5-8-18)25-22(17)20-10-9-19(29-2)13-21(20)24/h3-5,7-10,13,15,28H,6,11-12,14,16H2,1-2H3.
What are the key properties of 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol?
1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylpiperidin-3-ol has a molecular weight of 395.48 g/mol, XLogP of 4.03, 5 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]-3-methylpiperidin-3-ol is sourced from PubChem (CID 70743051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).