1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

C13H21N5O — CID 105109691

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cc(C)nn1CC
InChIInChI=1S/C13H21N5O/c1-4-6-18-13(14-9-15-18)8-12(19)11-7-10(3)16-17(11)5-2/h7,9,12,19H,4-6,8H2,1-3H3
InChIKeyNJOQFMBLQBNSHT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.49
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 105109691) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
PubChem CID105109691
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cc(C)nn1CC
InChIInChI=1S/C13H21N5O/c1-4-6-18-13(14-9-15-18)8-12(19)11-7-10(3)16-17(11)5-2/h7,9,12,19H,4-6,8H2,1-3H3
InChIKeyNJOQFMBLQBNSHT-UHFFFAOYSA-N
XLogP1.49
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109760
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105079596
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 105112194
1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
1-(2-methylfuran-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 104789442
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105111437
N-[1-(2,5-dimethylpyrazol-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105161876
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572689
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105161757

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (CID 105109691) is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is CCCn1ncnc1CC(O)c1cc(C)nn1CC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is NJOQFMBLQBNSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-6-18-13(14-9-15-18)8-12(19)11-7-10(3)16-17(11)5-2/h7,9,12,19H,4-6,8H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 263.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 105109691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).