2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol

C17H23N3O2 — CID 56781730

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN2CC(n3nc(C)cc3C)C2)cc1
InChIInChI=1S/C17H23N3O2/c1-12-8-13(2)20(18-12)15-9-19(10-15)11-17(21)14-4-6-16(22-3)7-5-14/h4-8,15,17,21H,9-11H2,1-3H3
InChIKeyYUBSGDJKBHCXMD-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.10
Rot. Bonds5

About 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol

2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 56781730) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID56781730
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN2CC(n3nc(C)cc3C)C2)cc1
InChIInChI=1S/C17H23N3O2/c1-12-8-13(2)20(18-12)15-9-19(10-15)11-17(21)14-4-6-16(22-3)7-5-14/h4-8,15,17,21H,9-11H2,1-3H3
InChIKeyYUBSGDJKBHCXMD-UHFFFAOYSA-N
XLogP2.10
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol 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-{1-(4-ethoxybenzyl)-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 16190720
1-(2,5-Difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
CID 56781795
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(p-tolyloxy)propan-2-ol
CID 3144351
[1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(4-methoxybenzyl)piperidin-4-yl]methanol
CID 16191760
2-[4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzyl)-2-piperazinyl]ethanol
CID 16190120
2-[4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzyl)-2-piperazinyl]ethanol
CID 16191876
5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-4-ol
CID 118706768
US11312688, Example 328
CID 66665476
1-(2,6-difluorophenyl)-2-(1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl)ethanol
CID 25067457
2-(1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl)-1-phenylethanol
CID 45485612
2-[5-(Hydroxymethyl)-3-phenylpyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
CID 50905137
2-[3-(4-Chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]-1-(4-methoxyphenyl)ethanol
CID 50905138

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol (CID 56781730) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CN2CC(n3nc(C)cc3C)C2)cc1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is YUBSGDJKBHCXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-8-13(2)20(18-12)15-9-19(10-15)11-17(21)14-4-6-16(22-3)7-5-14/h4-8,15,17,21H,9-11H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 301.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 56781730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).