2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one

C11H17BrN4O — CID 45153794

IUPAC2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(C)CC1)n1cc(Br)cn1
InChIInChI=1S/C11H17BrN4O/c1-9(16-8-10(12)7-13-16)11(17)15-5-3-14(2)4-6-15/h7-9H,3-6H2,1-2H3
InChIKeyFGXONVLMLCJPSK-UHFFFAOYSA-N
MW301.19 g/mol
LogP0.98
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one

2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 45153794) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID45153794
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(C)CC1)n1cc(Br)cn1
InChIInChI=1S/C11H17BrN4O/c1-9(16-8-10(12)7-13-16)11(17)15-5-3-14(2)4-6-15/h7-9H,3-6H2,1-2H3
InChIKeyFGXONVLMLCJPSK-UHFFFAOYSA-N
XLogP0.98
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60582948
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CID 50988940
2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 19537733
2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
CID 19537734
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
2-(4-Bromopyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45153795
2-(4-Bromo-1H-pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 45153809
2-(4-Bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 56725086
2-[Cyclopropyl(methyl)amino]-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56780174
2-(4-Bromo-1H-pyrazol-1-yl)-1-morpholinopropan-1-one
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1-[4-(2-Pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 71934220

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one (CID 45153794) is 2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCN(C)CC1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is FGXONVLMLCJPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-9(16-8-10(12)7-13-16)11(17)15-5-3-14(2)4-6-15/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one?
2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 301.19 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 45153794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).