5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole

C14H18N2O — CID 103016135

IUPAC5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
SMILESCc1ccc(C)c(OCCc2ccnn2C)c1
InChIInChI=1S/C14H18N2O/c1-11-4-5-12(2)14(10-11)17-9-7-13-6-8-15-16(13)3/h4-6,8,10H,7,9H2,1-3H3
InChIKeyLGPNSGGETOCGIZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.66
Rot. Bonds4

About 5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole

5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole (PubChem CID 103016135) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
PubChem CID103016135
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
SMILESCc1ccc(C)c(OCCc2ccnn2C)c1
InChIInChI=1S/C14H18N2O/c1-11-4-5-12(2)14(10-11)17-9-7-13-6-8-15-16(13)3/h4-6,8,10H,7,9H2,1-3H3
InChIKeyLGPNSGGETOCGIZ-UHFFFAOYSA-N
XLogP2.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 107663250
5-[2-[2-(bromomethyl)-4-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003791
(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 103003106
potassium trifluoro-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boranuide
CID 103003907
1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone
CID 103002738
3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 103002570
(1R)-1-[3-methyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003603
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
CID 103016138
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067
5-[2-(5-bromo-2-chlorophenoxy)ethyl]-1-methylpyrazole
CID 103002806

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole (CID 103016135) is 5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole is Cc1ccc(C)c(OCCc2ccnn2C)c1.
What is the InChIKey of 5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole?
The InChIKey is LGPNSGGETOCGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-4-5-12(2)14(10-11)17-9-7-13-6-8-15-16(13)3/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of 5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole?
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole has a molecular weight of 230.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole is sourced from PubChem (CID 103016135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).