[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol

C13H16N2O3 — CID 28782967

IUPAC[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1cnn(C)c1
InChIInChI=1S/C13H16N2O3/c1-15-7-11(6-14-15)9-18-12-4-3-10(8-16)5-13(12)17-2/h3-7,16H,8-9H2,1-2H3
InChIKeyQYSCYBGHMCMSRJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.50
Rot. Bonds5

About [3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol

[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol (PubChem CID 28782967) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
PubChem CID28782967
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1cnn(C)c1
InChIInChI=1S/C13H16N2O3/c1-15-7-11(6-14-15)9-18-12-4-3-10(8-16)5-13(12)17-2/h3-7,16H,8-9H2,1-2H3
InChIKeyQYSCYBGHMCMSRJ-UHFFFAOYSA-N
XLogP1.50
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782929
1-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881865
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone
CID 127264738
3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide
CID 120828179
[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28933161
[4-[[6-(ethylamino)-3-pyridinyl]methoxy]-3-methoxyphenyl]methanol
CID 107744742
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 62127738
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-methylpyrazole
CID 62126934
[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 103003528

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol (CID 28782967) is [3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol is COc1cc(CO)ccc1OCc1cnn(C)c1.
What is the InChIKey of [3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is QYSCYBGHMCMSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-7-11(6-14-15)9-18-12-4-3-10(8-16)5-13(12)17-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of [3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 248.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 28782967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).