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

C13H21N5O — CID 105109760

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cc(CC)nn1C
InChIInChI=1S/C13H21N5O/c1-4-6-18-13(14-9-15-18)8-12(19)11-7-10(5-2)16-17(11)3/h7,9,12,19H,4-6,8H2,1-3H3
InChIKeyMTEZPPNGZWXUNE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.26
Rot. Bonds6

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

1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 105109760) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
PubChem CID105109760
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cc(CC)nn1C
InChIInChI=1S/C13H21N5O/c1-4-6-18-13(14-9-15-18)8-12(19)11-7-10(5-2)16-17(11)3/h7,9,12,19H,4-6,8H2,1-3H3
InChIKeyMTEZPPNGZWXUNE-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109691
1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105109707
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073
1-(3-ethyl-1-methylpyrazol-5-yl)decan-1-ol
CID 105084923
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101039
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 105105696
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133596
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol
CID 105123108
[1-(1,3-diethylpyrazol-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318519

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (CID 105109760) is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is CCCn1ncnc1CC(O)c1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is MTEZPPNGZWXUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-6-18-13(14-9-15-18)8-12(19)11-7-10(5-2)16-17(11)3/h7,9,12,19H,4-6,8H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 263.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 105109760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).