2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol

C12H20BrN3O — CID 102869682

IUPAC2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol
SMILESCc1nn(C)c(CN(CCO)C2CCC2)c1Br
InChIInChI=1S/C12H20BrN3O/c1-9-12(13)11(15(2)14-9)8-16(6-7-17)10-4-3-5-10/h10,17H,3-8H2,1-2H3
InChIKeyFKNBMAAIGQWXCF-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.84
Rot. Bonds5

About 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol

2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol (PubChem CID 102869682) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol
PubChem CID102869682
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol
SMILESCc1nn(C)c(CN(CCO)C2CCC2)c1Br
InChIInChI=1S/C12H20BrN3O/c1-9-12(13)11(15(2)14-9)8-16(6-7-17)10-4-3-5-10/h10,17H,3-8H2,1-2H3
InChIKeyFKNBMAAIGQWXCF-UHFFFAOYSA-N
XLogP1.84
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine
CID 79025751
N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
CID 80673564
2-[cyclopentyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052538
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836581
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-cyclohexylamino]ethanol
CID 54993676
2-[cyclopentyl-[(1-methylpyrazol-3-yl)methyl]amino]ethanol
CID 82878038
methyl 2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl-cyclopentylamino]acetate
CID 115536721
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008879
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
CID 80603146
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopentylpropan-2-ol
CID 115814579
2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol
CID 102680065
5-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpentan-1-amine
CID 107204793

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol (CID 102869682) is 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol is Cc1nn(C)c(CN(CCO)C2CCC2)c1Br.
What is the InChIKey of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol?
The InChIKey is FKNBMAAIGQWXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-9-12(13)11(15(2)14-9)8-16(6-7-17)10-4-3-5-10/h10,17H,3-8H2,1-2H3.
What are the key properties of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol?
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol has a molecular weight of 302.22 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102869682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).