3-(3,5-dimethoxyphenoxy)-1-methylpyrazole

C12H14N2O3 — CID 173078111

IUPAC3-(3,5-dimethoxyphenoxy)-1-methylpyrazole
SMILESCOc1cc(OC)cc(Oc2ccn(C)n2)c1
InChIInChI=1S/C12H14N2O3/c1-14-5-4-12(13-14)17-11-7-9(15-2)6-10(8-11)16-3/h4-8H,1-3H3
InChIKeyFUQIGDJZENCTBS-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.23
Rot. Bonds4

About 3-(3,5-dimethoxyphenoxy)-1-methylpyrazole

3-(3,5-dimethoxyphenoxy)-1-methylpyrazole (PubChem CID 173078111) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenoxy)-1-methylpyrazole
PubChem CID173078111
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-(3,5-dimethoxyphenoxy)-1-methylpyrazole
SMILESCOc1cc(OC)cc(Oc2ccn(C)n2)c1
InChIInChI=1S/C12H14N2O3/c1-14-5-4-12(13-14)17-11-7-9(15-2)6-10(8-11)16-3/h4-8H,1-3H3
InChIKeyFUQIGDJZENCTBS-UHFFFAOYSA-N
XLogP2.23
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phosphane;1,3,5-trimethoxybenzene
CID 175232895
1-(4-methoxythiophen-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103135686
N-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626842
(1-methylpyrazol-3-yl) formate
CID 171606461
3-(difluoromethoxy)-1-methylpyrazole
CID 19424663
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800
4-(3,5-dimethoxyphenoxy)pyridine
CID 90751053
tert-butyl 2-[2-fluoro-5-(1-methylpyrazol-3-yl)oxyphenyl]-2-oxoacetate
CID 171826271
2-(3,5-dimethoxyphenoxy)quinoline
CID 175975830
4-(3,5-dimethoxyphenoxy)-1,3-thiazole
CID 141204129
(3S)-3-amino-5-methyl-7-(1-methylpyrazol-3-yl)oxy-2,3-dihydro-1,5-benzoxazepin-4-one
CID 156842869
N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 103567501

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenoxy)-1-methylpyrazole?
The IUPAC name of 3-(3,5-dimethoxyphenoxy)-1-methylpyrazole (CID 173078111) is 3-(3,5-dimethoxyphenoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(3,5-dimethoxyphenoxy)-1-methylpyrazole?
The canonical SMILES for 3-(3,5-dimethoxyphenoxy)-1-methylpyrazole is COc1cc(OC)cc(Oc2ccn(C)n2)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenoxy)-1-methylpyrazole?
The InChIKey is FUQIGDJZENCTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14-5-4-12(13-14)17-11-7-9(15-2)6-10(8-11)16-3/h4-8H,1-3H3.
What are the key properties of 3-(3,5-dimethoxyphenoxy)-1-methylpyrazole?
3-(3,5-dimethoxyphenoxy)-1-methylpyrazole has a molecular weight of 234.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenoxy)-1-methylpyrazole is sourced from PubChem (CID 173078111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).