[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol

C14H18N2O3 — CID 28964073

IUPAC[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCOc1ccc(Oc2c(CO)c(C)nn2C)cc1
InChIInChI=1S/C14H18N2O3/c1-4-18-11-5-7-12(8-6-11)19-14-13(9-17)10(2)15-16(14)3/h5-8,17H,4,9H2,1-3H3
InChIKeyRWKWBZBRAUYBRR-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.41
Rot. Bonds5

About [5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol

[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 28964073) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID28964073
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCOc1ccc(Oc2c(CO)c(C)nn2C)cc1
InChIInChI=1S/C14H18N2O3/c1-4-18-11-5-7-12(8-6-11)19-14-13(9-17)10(2)15-16(14)3/h5-8,17H,4,9H2,1-3H3
InChIKeyRWKWBZBRAUYBRR-UHFFFAOYSA-N
XLogP2.41
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
CID 61228953
[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 115492816
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 54898382
[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964156
4-(chloromethyl)-1,3-dimethyl-5-(4-propoxyphenoxy)pyrazole
CID 28971291
[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964058
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
CID 107709326
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
[5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 43479792
4-(bromomethyl)-5-(4-iodophenoxy)-1,3-dimethylpyrazole
CID 107087513
[5-(4-tert-butyl-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 43351940
[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 102989934

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol (CID 28964073) is [5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol is CCOc1ccc(Oc2c(CO)c(C)nn2C)cc1.
What is the InChIKey of [5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is RWKWBZBRAUYBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-18-11-5-7-12(8-6-11)19-14-13(9-17)10(2)15-16(14)3/h5-8,17H,4,9H2,1-3H3.
What are the key properties of [5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol?
[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 262.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 28964073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).