2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone

C11H17BrN4O — CID 62129908

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone
SMILESCc1nn(CC(=O)N2CCNCC2)c(C)c1Br
InChIInChI=1S/C11H17BrN4O/c1-8-11(12)9(2)16(14-8)7-10(17)15-5-3-13-4-6-15/h13H,3-7H2,1-2H3
InChIKeyYSZHNJDBSGFXJE-UHFFFAOYSA-N
MW301.19 g/mol
LogP0.69
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone (PubChem CID 62129908) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone
PubChem CID62129908
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone
SMILESCc1nn(CC(=O)N2CCNCC2)c(C)c1Br
InChIInChI=1S/C11H17BrN4O/c1-8-11(12)9(2)16(14-8)7-10(17)15-5-3-13-4-6-15/h13H,3-7H2,1-2H3
InChIKeyYSZHNJDBSGFXJE-UHFFFAOYSA-N
XLogP0.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 39891679
1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 54982396
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 35763347
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-prop-2-enyl-1,4-diazepan-1-yl)ethanone
CID 95749759
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 35334739
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 35334673
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 19527893
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 4769764
2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 82694012
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19527892
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 39891722
2-[5-(3-methylphenyl)tetrazol-1-yl]-1-piperazin-1-ylethanone
CID 84759786

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone (CID 62129908) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone is Cc1nn(CC(=O)N2CCNCC2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone?
The InChIKey is YSZHNJDBSGFXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-8-11(12)9(2)16(14-8)7-10(17)15-5-3-13-4-6-15/h13H,3-7H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone has a molecular weight of 301.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 62129908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).