2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine

C16H23N3O2 — CID 63803142

IUPAC2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCOCCc1ccc(Oc2c(CCN)c(C)nn2C)cc1
InChIInChI=1S/C16H23N3O2/c1-12-15(8-10-17)16(19(2)18-12)21-14-6-4-13(5-7-14)9-11-20-3/h4-7H,8-11,17H2,1-3H3
InChIKeyVSNPPRINDYXIQR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.21
Rot. Bonds7

About 2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine

2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine (PubChem CID 63803142) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine
PubChem CID63803142
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCOCCc1ccc(Oc2c(CCN)c(C)nn2C)cc1
InChIInChI=1S/C16H23N3O2/c1-12-15(8-10-17)16(19(2)18-12)21-14-6-4-13(5-7-14)9-11-20-3/h4-7H,8-11,17H2,1-3H3
InChIKeyVSNPPRINDYXIQR-UHFFFAOYSA-N
XLogP2.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 82726959
2-[5-(2,6-dimethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 63815246
[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
CID 61228953
2-[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]ethanamine
CID 63802598
[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 115492816
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
CID 107709326
[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 107663593
4-(bromomethyl)-5-(4-iodophenoxy)-1,3-dimethylpyrazole
CID 107087513
N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43282838
[5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
CID 28966353
4-(chloromethyl)-1,3-dimethyl-5-(4-propoxyphenoxy)pyrazole
CID 28971291
[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine (CID 63803142) is 2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine is COCCc1ccc(Oc2c(CCN)c(C)nn2C)cc1.
What is the InChIKey of 2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is VSNPPRINDYXIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-15(8-10-17)16(19(2)18-12)21-14-6-4-13(5-7-14)9-11-20-3/h4-7H,8-11,17H2,1-3H3.
What are the key properties of 2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine?
2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 63803142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).