2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide

C14H22BrN3O — CID 154834581

IUPAC2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
SMILESCC(C(=O)NC1CCCCCCC1)n1cc(Br)cn1
InChIInChI=1S/C14H22BrN3O/c1-11(18-10-12(15)9-16-18)14(19)17-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H,17,19)
InChIKeyYNVHLZNVQPJSAA-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.44
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide

2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide (PubChem CID 154834581) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
PubChem CID154834581
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
SMILESCC(C(=O)NC1CCCCCCC1)n1cc(Br)cn1
InChIInChI=1S/C14H22BrN3O/c1-11(18-10-12(15)9-16-18)14(19)17-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H,17,19)
InChIKeyYNVHLZNVQPJSAA-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide
CID 45125859
ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate
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2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide
CID 19549741
(2R)-2-(4-bromopyrazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 35523007
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622105
2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
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CID 19537474

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide (CID 154834581) is 2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide is CC(C(=O)NC1CCCCCCC1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide?
The InChIKey is YNVHLZNVQPJSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-11(18-10-12(15)9-16-18)14(19)17-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H,17,19).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide?
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide has a molecular weight of 328.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide is sourced from PubChem (CID 154834581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).