1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

C12H18N4O — CID 105080887

IUPAC1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CC(O)c1cnn(C)c1
InChIInChI=1S/C12H18N4O/c1-8-11(9(2)16(4)14-8)5-12(17)10-6-13-15(3)7-10/h6-7,12,17H,5H2,1-4H3
InChIKeyWEGNDGGYXNTQHW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.05
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 105080887) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID105080887
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CC(O)c1cnn(C)c1
InChIInChI=1S/C12H18N4O/c1-8-11(9(2)16(4)14-8)5-12(17)10-6-13-15(3)7-10/h6-7,12,17H,5H2,1-4H3
InChIKeyWEGNDGGYXNTQHW-UHFFFAOYSA-N
XLogP1.05
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol 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

N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105104351
1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 79224959
1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105114109
1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114283574
N-methyl-1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105113719
1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095079
2-(4-iodophenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 65478279
1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114213625
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056
1-(3-methoxypyrazin-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123898
1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 103139051
2-(2-chloro-4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 106866193

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 105080887) is 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1CC(O)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is WEGNDGGYXNTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-11(9(2)16(4)14-8)5-12(17)10-6-13-15(3)7-10/h6-7,12,17H,5H2,1-4H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105080887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).