2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol

C23H24F3N3O2 — CID 42165144

IUPAC2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
SMILESCOc1cccc(CN2CCC(c3[nH]ncc3-c3cccc(C(F)(F)F)c3)CC2)c1O
InChIInChI=1S/C23H24F3N3O2/c1-31-20-7-3-5-17(22(20)30)14-29-10-8-15(9-11-29)21-19(13-27-28-21)16-4-2-6-18(12-16)23(24,25)26/h2-7,12-13,15,30H,8-11,14H2,1H3,(H,27,28)
InChIKeyBZEURHAALUAPAB-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.19
Rot. Bonds5

About 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol

2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol (PubChem CID 42165144) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
PubChem CID42165144
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
SMILESCOc1cccc(CN2CCC(c3[nH]ncc3-c3cccc(C(F)(F)F)c3)CC2)c1O
InChIInChI=1S/C23H24F3N3O2/c1-31-20-7-3-5-17(22(20)30)14-29-10-8-15(9-11-29)21-19(13-27-28-21)16-4-2-6-18(12-16)23(24,25)26/h2-7,12-13,15,30H,8-11,14H2,1H3,(H,27,28)
InChIKeyBZEURHAALUAPAB-UHFFFAOYSA-N
XLogP5.19
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-6-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 42431673
2,6-dimethoxy-4-[[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
CID 56750158
2-methyl-4-[4-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol
CID 42483502
2-[[3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 45228936
2-[[(3R)-3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 42472821
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42431676
(3S)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42482466
2-methoxy-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82962319
(3S)-1-[(5-methylfuran-2-yl)methyl]-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 42431199
3-[[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
CID 45180592
1-benzyl-4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42479344
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol (CID 42165144) is 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol is COc1cccc(CN2CCC(c3[nH]ncc3-c3cccc(C(F)(F)F)c3)CC2)c1O.
What is the InChIKey of 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol?
The InChIKey is BZEURHAALUAPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-31-20-7-3-5-17(22(20)30)14-29-10-8-15(9-11-29)21-19(13-27-28-21)16-4-2-6-18(12-16)23(24,25)26/h2-7,12-13,15,30H,8-11,14H2,1H3,(H,27,28).
What are the key properties of 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol?
2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol has a molecular weight of 431.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 42165144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).