1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone

C19H23BrN4O2 — CID 56567212

IUPAC1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3n[nH]c(C(C)C)c3Br)CC2)cc1
InChIInChI=1S/C19H23BrN4O2/c1-12(2)17-16(20)18(22-21-17)19(26)24-10-8-23(9-11-24)15-6-4-14(5-7-15)13(3)25/h4-7,12H,8-11H2,1-3H3,(H,21,22)
InChIKeyIQUGFNLPGVHSGY-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.46
Rot. Bonds4

About 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 56567212) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
PubChem CID56567212
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC Name1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3n[nH]c(C(C)C)c3Br)CC2)cc1
InChIInChI=1S/C19H23BrN4O2/c1-12(2)17-16(20)18(22-21-17)19(26)24-10-8-23(9-11-24)15-6-4-14(5-7-15)13(3)25/h4-7,12H,8-11H2,1-3H3,(H,21,22)
InChIKeyIQUGFNLPGVHSGY-UHFFFAOYSA-N
XLogP3.46
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 56566868
1-[4-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 46921350
4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 4826323
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 56567186
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 56564765
1-[4-[4-(2-bromo-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167770167
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56560419
1-[4-[4-(2-bromo-1,3-thiazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167757787
2-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56559800
1-[4-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 26705908
1-[4-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 6733703
1-[4-(4-acetylphenyl)piperazin-1-yl]prop-2-en-1-one;2-methylpropane
CID 161095625

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone (CID 56567212) is 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3n[nH]c(C(C)C)c3Br)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is IQUGFNLPGVHSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c1-12(2)17-16(20)18(22-21-17)19(26)24-10-8-23(9-11-24)15-6-4-14(5-7-15)13(3)25/h4-7,12H,8-11H2,1-3H3,(H,21,22).
What are the key properties of 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 419.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 56567212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).