1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol

C16H21N3O3 — CID 56780884

IUPAC1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol
SMILESCOc1ccc(OC)c(C(O)CN2CC(n3cccn3)C2)c1
InChIInChI=1S/C16H21N3O3/c1-21-13-4-5-16(22-2)14(8-13)15(20)11-18-9-12(10-18)19-7-3-6-17-19/h3-8,12,15,20H,9-11H2,1-2H3
InChIKeyMOKOAOJNIDRFFG-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.49
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol

1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol (PubChem CID 56780884) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol
PubChem CID56780884
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol
SMILESCOc1ccc(OC)c(C(O)CN2CC(n3cccn3)C2)c1
InChIInChI=1S/C16H21N3O3/c1-21-13-4-5-16(22-2)14(8-13)15(20)11-18-9-12(10-18)19-7-3-6-17-19/h3-8,12,15,20H,9-11H2,1-2H3
InChIKeyMOKOAOJNIDRFFG-UHFFFAOYSA-N
XLogP1.49
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(3-methoxyphenyl)methoxy]-3-(3-pyrazol-1-ylazetidin-1-yl)propan-2-ol
CID 95610532
1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
CID 115688534
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201
1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole
CID 56781209
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781235
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95129996
(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
CID 98767477
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(2,5-dimethoxyphenyl)ethanol
CID 46968065

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol (CID 56780884) is 1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol is COc1ccc(OC)c(C(O)CN2CC(n3cccn3)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol?
The InChIKey is MOKOAOJNIDRFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-13-4-5-16(22-2)14(8-13)15(20)11-18-9-12(10-18)19-7-3-6-17-19/h3-8,12,15,20H,9-11H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol?
1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol has a molecular weight of 303.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanol is sourced from PubChem (CID 56780884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).