2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol

C14H21BrN4O — CID 105105696

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2c(Br)c(CC)nn2C)n(C)n1
InChIInChI=1S/C14H21BrN4O/c1-5-9-7-11(18(3)16-9)13(20)8-12-14(15)10(6-2)17-19(12)4/h7,13,20H,5-6,8H2,1-4H3
InChIKeySKIOZLATFYAYPI-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.32
Rot. Bonds5

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol (PubChem CID 105105696) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
PubChem CID105105696
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2c(Br)c(CC)nn2C)n(C)n1
InChIInChI=1S/C14H21BrN4O/c1-5-9-7-11(18(3)16-9)13(20)8-12-14(15)10(6-2)17-19(12)4/h7,13,20H,5-6,8H2,1-4H3
InChIKeySKIOZLATFYAYPI-UHFFFAOYSA-N
XLogP2.32
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
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(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
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1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol (CID 105105696) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol is CCc1cc(C(O)Cc2c(Br)c(CC)nn2C)n(C)n1.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The InChIKey is SKIOZLATFYAYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-5-9-7-11(18(3)16-9)13(20)8-12-14(15)10(6-2)17-19(12)4/h7,13,20H,5-6,8H2,1-4H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol has a molecular weight of 341.25 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 105105696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).