1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol

C13H21BrN2O2 — CID 106823266

IUPAC1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2c(Br)c(CC)nn2C)C1
InChIInChI=1S/C13H21BrN2O2/c1-4-10-12(14)11(16(3)15-10)8-13(17)6-9(7-13)18-5-2/h9,17H,4-8H2,1-3H3
InChIKeyWISSUDKGXVLZEG-UHFFFAOYSA-N
MW317.23 g/mol
LogP2.22
Rot. Bonds5

About 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol

1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol (PubChem CID 106823266) has the molecular formula C13H21BrN2O2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol
PubChem CID106823266
Molecular FormulaC13H21BrN2O2
Molecular Weight317.23 g/mol
Exact Mass316.08
IUPAC Name1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2c(Br)c(CC)nn2C)C1
InChIInChI=1S/C13H21BrN2O2/c1-4-10-12(14)11(16(3)15-10)8-13(17)6-9(7-13)18-5-2/h9,17H,4-8H2,1-3H3
InChIKeyWISSUDKGXVLZEG-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol?
The IUPAC name of 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol (CID 106823266) is 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol.
What is the SMILES notation for 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol?
The canonical SMILES for 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol is CCOC1CC(O)(Cc2c(Br)c(CC)nn2C)C1.
What is the InChIKey of 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol?
The InChIKey is WISSUDKGXVLZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2/c1-4-10-12(14)11(16(3)15-10)8-13(17)6-9(7-13)18-5-2/h9,17H,4-8H2,1-3H3.
What are the key properties of 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol?
1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol has a molecular weight of 317.23 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-ethoxycyclobutan-1-ol is sourced from PubChem (CID 106823266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).