3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol

C13H16N2O2 — CID 107679822

IUPAC3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol
SMILESCCn1cc(COc2cc(C)cc(O)c2)cn1
InChIInChI=1S/C13H16N2O2/c1-3-15-8-11(7-14-15)9-17-13-5-10(2)4-12(16)6-13/h4-8,16H,3,9H2,1-2H3
InChIKeyPGNCSITUGVLLNU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.50
Rot. Bonds4

About 3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol

3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol (PubChem CID 107679822) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol
PubChem CID107679822
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol
SMILESCCn1cc(COc2cc(C)cc(O)c2)cn1
InChIInChI=1S/C13H16N2O2/c1-3-15-8-11(7-14-15)9-17-13-5-10(2)4-12(16)6-13/h4-8,16H,3,9H2,1-2H3
InChIKeyPGNCSITUGVLLNU-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003
[4-[(1-ethylpyrazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 62127449
3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
CID 62125688
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methoxybenzenecarbothioamide
CID 103567293
[5-[(1-ethylpyrazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799636
5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 63852192
4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453
[4-[(3,5-dimethylphenoxy)methyl]thiophen-2-yl]-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19505568
(1R)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 55246681

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol (CID 107679822) is 3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol is CCn1cc(COc2cc(C)cc(O)c2)cn1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol?
The InChIKey is PGNCSITUGVLLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-15-8-11(7-14-15)9-17-13-5-10(2)4-12(16)6-13/h4-8,16H,3,9H2,1-2H3.
What are the key properties of 3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol?
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol has a molecular weight of 232.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol is sourced from PubChem (CID 107679822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).