2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol

C13H16N2O3 — CID 94267593

IUPAC2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2cnn(CCO)c2)cc1OC
InChIInChI=1S/C13H16N2O3/c1-17-12-4-3-10(7-13(12)18-2)11-8-14-15(9-11)5-6-16/h3-4,7-9,16H,5-6H2,1-2H3
InChIKeyZLMGICCTPNSIDL-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.56
Rot. Bonds5

About 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol

2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol (PubChem CID 94267593) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
PubChem CID94267593
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2cnn(CCO)c2)cc1OC
InChIInChI=1S/C13H16N2O3/c1-17-12-4-3-10(7-13(12)18-2)11-8-14-15(9-11)5-6-16/h3-4,7-9,16H,5-6H2,1-2H3
InChIKeyZLMGICCTPNSIDL-UHFFFAOYSA-N
XLogP1.56
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
2-[4-(4-methoxy-2-methylphenyl)pyrazol-1-yl]ethanol
CID 56716387
3-[4-(3-chloro-4-methoxyphenyl)pyrazol-1-yl]propanenitrile
CID 82121835
2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]ethanol
CID 72908195
[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid
CID 125497935
2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol
CID 172649274
4-[1-(cyanomethyl)pyrazol-4-yl]-2-methoxybenzamide
CID 167809005
4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine
CID 162645311
3-[1-(2-hydroxyethyl)pyrazol-4-yl]benzaldehyde
CID 172649272
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 71728692
2-[4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-1-yl]ethanol
CID 72924283
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol (CID 94267593) is 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol is COc1ccc(-c2cnn(CCO)c2)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol?
The InChIKey is ZLMGICCTPNSIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-12-4-3-10(7-13(12)18-2)11-8-14-15(9-11)5-6-16/h3-4,7-9,16H,5-6H2,1-2H3.
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol?
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol has a molecular weight of 248.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 94267593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).