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

C14H18N2O3 — CID 28782929

IUPAC[3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)ccc1OCc1cnn(C)c1
InChIInChI=1S/C14H18N2O3/c1-3-18-14-6-11(9-17)4-5-13(14)19-10-12-7-15-16(2)8-12/h4-8,17H,3,9-10H2,1-2H3
InChIKeyKTMSTRNFAQGDAL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.89
Rot. Bonds6

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

[3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol (PubChem CID 28782929) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
PubChem CID28782929
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
SMILESCCOc1cc(CO)ccc1OCc1cnn(C)c1
InChIInChI=1S/C14H18N2O3/c1-3-18-14-6-11(9-17)4-5-13(14)19-10-12-7-15-16(2)8-12/h4-8,17H,3,9-10H2,1-2H3
InChIKeyKTMSTRNFAQGDAL-UHFFFAOYSA-N
XLogP1.89
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967
3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 62126907
4-[2-[4-(bromomethyl)-2-ethoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003729
[3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999274
1-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881865
[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28933161
2-[2-ethoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 47624012
3-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 86912624
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-methylpyrazole
CID 62126934
4-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882931
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 79698175

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol (CID 28782929) is [3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol is CCOc1cc(CO)ccc1OCc1cnn(C)c1.
What is the InChIKey of [3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is KTMSTRNFAQGDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-18-14-6-11(9-17)4-5-13(14)19-10-12-7-15-16(2)8-12/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of [3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol?
[3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 262.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 28782929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).