2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide

C15H24BrN3O — CID 45125859

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide
SMILESCc1nn(C(C)C(=O)NC2CCCCCCC2)cc1Br
InChIInChI=1S/C15H24BrN3O/c1-11-14(16)10-19(18-11)12(2)15(20)17-13-8-6-4-3-5-7-9-13/h10,12-13H,3-9H2,1-2H3,(H,17,20)
InChIKeyFKDAGGHBWHKXIY-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.74
Rot. Bonds3

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide (PubChem CID 45125859) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide
PubChem CID45125859
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide
SMILESCc1nn(C(C)C(=O)NC2CCCCCCC2)cc1Br
InChIInChI=1S/C15H24BrN3O/c1-11-14(16)10-19(18-11)12(2)15(20)17-13-8-6-4-3-5-7-9-13/h10,12-13H,3-9H2,1-2H3,(H,17,20)
InChIKeyFKDAGGHBWHKXIY-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopropylpropanamide
CID 19533335
2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
CID 17020886
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
N-cyclopentyl-2-(3-methylpyrazol-1-yl)propanamide
CID 19534188
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide
CID 124507498
N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide
CID 62401094
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19533359
(2R)-2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 40622304
ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate
CID 81495464
N-cycloheptyl-2-(3-methylindazol-1-yl)propanamide
CID 22509795
N-cyclopropyl-2-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
CID 81444580

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide (CID 45125859) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide is Cc1nn(C(C)C(=O)NC2CCCCCCC2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide?
The InChIKey is FKDAGGHBWHKXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-11-14(16)10-19(18-11)12(2)15(20)17-13-8-6-4-3-5-7-9-13/h10,12-13H,3-9H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide has a molecular weight of 342.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide is sourced from PubChem (CID 45125859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).