2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone

C9H13BrN4O — CID 19576808

IUPAC2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cn1cc(Br)cn1)N1CCNCC1
InChIInChI=1S/C9H13BrN4O/c10-8-5-12-14(6-8)7-9(15)13-3-1-11-2-4-13/h5-6,11H,1-4,7H2
InChIKeyWJKNNFVIALXSHN-UHFFFAOYSA-N
MW273.13 g/mol
LogP0.08
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone

2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone (PubChem CID 19576808) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone
PubChem CID19576808
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cn1cc(Br)cn1)N1CCNCC1
InChIInChI=1S/C9H13BrN4O/c10-8-5-12-14(6-8)7-9(15)13-3-1-11-2-4-13/h5-6,11H,1-4,7H2
InChIKeyWJKNNFVIALXSHN-UHFFFAOYSA-N
XLogP0.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 50988940
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
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2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
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2-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)propanamide
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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-methylpiperazin-1-yl)propan-1-one
CID 45153794
2-(4-Bromopyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
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2-(4-Bromopyrazol-1-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 56725086
1-(1-methyl-1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 170914050

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone (CID 19576808) is 2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone is O=C(Cn1cc(Br)cn1)N1CCNCC1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone?
The InChIKey is WJKNNFVIALXSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c10-8-5-12-14(6-8)7-9(15)13-3-1-11-2-4-13/h5-6,11H,1-4,7H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone?
2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone has a molecular weight of 273.13 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 19576808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).