2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol

C16H23N3O2 — CID 107709326

IUPAC2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
SMILESCCNCc1c(C)nn(C)c1Oc1ccc(CCO)cc1
InChIInChI=1S/C16H23N3O2/c1-4-17-11-15-12(2)18-19(3)16(15)21-14-7-5-13(6-8-14)9-10-20/h5-8,17,20H,4,9-11H2,1-3H3
InChIKeyLPKCWTGWLLPFRP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.17
Rot. Bonds7

About 2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol

2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol (PubChem CID 107709326) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
PubChem CID107709326
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
SMILESCCNCc1c(C)nn(C)c1Oc1ccc(CCO)cc1
InChIInChI=1S/C16H23N3O2/c1-4-17-11-15-12(2)18-19(3)16(15)21-14-7-5-13(6-8-14)9-10-20/h5-8,17,20H,4,9-11H2,1-3H3
InChIKeyLPKCWTGWLLPFRP-UHFFFAOYSA-N
XLogP2.17
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide
CID 43283512
[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 115492816
N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43282341
[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
CID 61228953
N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine
CID 116793112
N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43282838
N-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43282981
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 116802161
[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073
N-[[5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63070596

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol?
The IUPAC name of 2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol (CID 107709326) is 2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol.
What is the SMILES notation for 2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol?
The canonical SMILES for 2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol is CCNCc1c(C)nn(C)c1Oc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol?
The InChIKey is LPKCWTGWLLPFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-17-11-15-12(2)18-19(3)16(15)21-14-7-5-13(6-8-14)9-10-20/h5-8,17,20H,4,9-11H2,1-3H3.
What are the key properties of 2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol?
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol has a molecular weight of 289.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol is sourced from PubChem (CID 107709326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).