[5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol

C14H26N2O2 — CID 45282967

IUPAC[5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCCCC(CC)COc1c(CO)c(C)nn1C
InChIInChI=1S/C14H26N2O2/c1-5-7-8-12(6-2)10-18-14-13(9-17)11(3)15-16(14)4/h12,17H,5-10H2,1-4H3
InChIKeyAMDXJLGWMHMFER-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.82
Rot. Bonds8

About [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol

[5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol (PubChem CID 45282967) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol
PubChem CID45282967
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol
SMILESCCCCC(CC)COc1c(CO)c(C)nn1C
InChIInChI=1S/C14H26N2O2/c1-5-7-8-12(6-2)10-18-14-13(9-17)11(3)15-16(14)4/h12,17H,5-10H2,1-4H3
InChIKeyAMDXJLGWMHMFER-UHFFFAOYSA-N
XLogP2.82
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66019695
[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
[4-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 81238636
2-ethylhexoxymethanol
CID 18783221
[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964156
[4-(2-ethylhexoxy)-2,6-dimethyl-3-pyridinyl]methanamine
CID 81050477
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-(2-ethylhexoxy)-5-methylpyridin-4-amine
CID 83265865
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
[3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol
CID 82697059
[5-(methoxymethyl)-1,3-dimethylpyrazol-4-yl]methanol
CID 138603081

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol (CID 45282967) is [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol is CCCCC(CC)COc1c(CO)c(C)nn1C.
What is the InChIKey of [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol?
The InChIKey is AMDXJLGWMHMFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-7-8-12(6-2)10-18-14-13(9-17)11(3)15-16(14)4/h12,17H,5-10H2,1-4H3.
What are the key properties of [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol?
[5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol has a molecular weight of 254.37 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylhexoxy)-1,3-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 45282967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).