2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol

C13H23BrN4O — CID 79659153

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCc1nn(C)c(CC(O)C2CN(C)CCN2C)c1Br
InChIInChI=1S/C13H23BrN4O/c1-9-13(14)10(18(4)15-9)7-12(19)11-8-16(2)5-6-17(11)3/h11-12,19H,5-8H2,1-4H3
InChIKeyKANVRKNXFVTEBI-UHFFFAOYSA-N
MW331.26 g/mol
LogP0.64
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol (PubChem CID 79659153) has the molecular formula C13H23BrN4O and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
PubChem CID79659153
Molecular FormulaC13H23BrN4O
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCc1nn(C)c(CC(O)C2CN(C)CCN2C)c1Br
InChIInChI=1S/C13H23BrN4O/c1-9-13(14)10(18(4)15-9)7-12(19)11-8-16(2)5-6-17(11)3/h11-12,19H,5-8H2,1-4H3
InChIKeyKANVRKNXFVTEBI-UHFFFAOYSA-N
XLogP0.64
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine
CID 115415404
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-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247216
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4-dimethylpentane-2,3-diol
CID 103457086
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethanol
CID 79086818
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79659017
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79973730
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol
CID 79088051
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093448
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol
CID 79954429
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol
CID 113362040

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol (CID 79659153) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol is Cc1nn(C)c(CC(O)C2CN(C)CCN2C)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
The InChIKey is KANVRKNXFVTEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O/c1-9-13(14)10(18(4)15-9)7-12(19)11-8-16(2)5-6-17(11)3/h11-12,19H,5-8H2,1-4H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol has a molecular weight of 331.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol is sourced from PubChem (CID 79659153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).