1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide

C19H23BrN4O2 — CID 55803274

IUPAC1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCC(=O)N2CCCCC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN4O2/c1-14-17(13-22-24(14)16-7-5-15(20)6-8-16)19(26)21-10-9-18(25)23-11-3-2-4-12-23/h5-8,13H,2-4,9-12H2,1H3,(H,21,26)
InChIKeyXGXHGOQMCHAPTC-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide

1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide (PubChem CID 55803274) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
PubChem CID55803274
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC Name1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCC(=O)N2CCCCC2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN4O2/c1-14-17(13-22-24(14)16-7-5-15(20)6-8-16)19(26)21-10-9-18(25)23-11-3-2-4-12-23/h5-8,13H,2-4,9-12H2,1H3,(H,21,26)
InChIKeyXGXHGOQMCHAPTC-UHFFFAOYSA-N
XLogP3.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-bromophenyl)-5-methyl-N-[2-(5-methylpyrimidin-2-yl)ethyl]pyrazole-4-carboxamide
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1-(4-bromophenyl)-5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
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1-(4-bromophenyl)-5-methyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazole-4-carboxamide
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(3S)-1-[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119113662
1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119461896
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide (CID 55803274) is 1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCC(=O)N2CCCCC2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide?
The InChIKey is XGXHGOQMCHAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c1-14-17(13-22-24(14)16-7-5-15(20)6-8-16)19(26)21-10-9-18(25)23-11-3-2-4-12-23/h5-8,13H,2-4,9-12H2,1H3,(H,21,26).
What are the key properties of 1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide?
1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide has a molecular weight of 419.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55803274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).