(4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C16H18BrFN4O — CID 35324906

IUPAC(4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCn1cc(Br)c(C(=O)N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C16H18BrFN4O/c1-2-22-11-12(17)15(19-22)16(23)21-9-7-20(8-10-21)14-6-4-3-5-13(14)18/h3-6,11H,2,7-10H2,1H3
InChIKeyLTKBGAQCBUKUMT-UHFFFAOYSA-N
MW381.25 g/mol
LogP2.77
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 35324906) has the molecular formula C16H18BrFN4O and a molecular weight of 381.25 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID35324906
Molecular FormulaC16H18BrFN4O
Molecular Weight381.25 g/mol
Exact Mass380.06
IUPAC Name(4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCn1cc(Br)c(C(=O)N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C16H18BrFN4O/c1-2-22-11-12(17)15(19-22)16(23)21-9-7-20(8-10-21)14-6-4-3-5-13(14)18/h3-6,11H,2,7-10H2,1H3
InChIKeyLTKBGAQCBUKUMT-UHFFFAOYSA-N
XLogP2.77
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19279446
(4-bromo-1-ethylpyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 166338802
(4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 24810866
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 35334739
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
(4-ethylpiperazin-1-yl)-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109345442

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 35324906) is (4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCn1cc(Br)c(C(=O)N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is LTKBGAQCBUKUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN4O/c1-2-22-11-12(17)15(19-22)16(23)21-9-7-20(8-10-21)14-6-4-3-5-13(14)18/h3-6,11H,2,7-10H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 381.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35324906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).