[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol

C14H18N2O2 — CID 103003530

IUPAC[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
SMILESCc1ccc(OCCc2cnn(C)c2)c(CO)c1
InChIInChI=1S/C14H18N2O2/c1-11-3-4-14(13(7-11)10-17)18-6-5-12-8-15-16(2)9-12/h3-4,7-9,17H,5-6,10H2,1-2H3
InChIKeyFQXQUEVUKJPBLC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.84
Rot. Bonds5

About [5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol

[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol (PubChem CID 103003530) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
PubChem CID103003530
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
SMILESCc1ccc(OCCc2cnn(C)c2)c(CO)c1
InChIInChI=1S/C14H18N2O2/c1-11-3-4-14(13(7-11)10-17)18-6-5-12-8-15-16(2)9-12/h3-4,7-9,17H,5-6,10H2,1-2H3
InChIKeyFQXQUEVUKJPBLC-UHFFFAOYSA-N
XLogP1.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999785
[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 103003528
4-[2-[2-(4-chlorobut-1-ynyl)-4-methylphenoxy]ethyl]-1-methylpyrazole
CID 103012870
[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]methanol
CID 65446582
(1R)-1-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103003602
N-[[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999588
3-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 103012802
[3,5-dichloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003499
[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 63325192
3-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]aniline
CID 102999336
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097
4-[2-[2-(bromomethyl)-4-nitrophenoxy]ethyl]-1-methylpyrazole
CID 103003752

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The IUPAC name of [5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol (CID 103003530) is [5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol.
What is the SMILES notation for [5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The canonical SMILES for [5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol is Cc1ccc(OCCc2cnn(C)c2)c(CO)c1.
What is the InChIKey of [5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
The InChIKey is FQXQUEVUKJPBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-3-4-14(13(7-11)10-17)18-6-5-12-8-15-16(2)9-12/h3-4,7-9,17H,5-6,10H2,1-2H3.
What are the key properties of [5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol?
[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol has a molecular weight of 246.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol is sourced from PubChem (CID 103003530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).