3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole

C14H18N2O2 — CID 75438240

IUPAC3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole
SMILESCOc1ccc(CCOc2cc(C)n(C)n2)cc1
InChIInChI=1S/C14H18N2O2/c1-11-10-14(15-16(11)2)18-9-8-12-4-6-13(17-3)7-5-12/h4-7,10H,8-9H2,1-3H3
InChIKeyRTHOCXLWVBPLEJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.36
Rot. Bonds5

About 3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole

3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole (PubChem CID 75438240) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole
PubChem CID75438240
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole
SMILESCOc1ccc(CCOc2cc(C)n(C)n2)cc1
InChIInChI=1S/C14H18N2O2/c1-11-10-14(15-16(11)2)18-9-8-12-4-6-13(17-3)7-5-12/h4-7,10H,8-9H2,1-3H3
InChIKeyRTHOCXLWVBPLEJ-UHFFFAOYSA-N
XLogP2.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole (CID 75438240) is 3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole is COc1ccc(CCOc2cc(C)n(C)n2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole?
The InChIKey is RTHOCXLWVBPLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-10-14(15-16(11)2)18-9-8-12-4-6-13(17-3)7-5-12/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole?
3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole has a molecular weight of 246.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole is sourced from PubChem (CID 75438240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).