2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide

C13H18BrN5O — CID 19537660

IUPAC2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
SMILESCc1ccnn1CCCNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C13H18BrN5O/c1-10-4-6-16-18(10)7-3-5-15-13(20)11(2)19-9-12(14)8-17-19/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,15,20)
InChIKeyZFYMXUGYQYOAAN-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.92
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide

2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide (PubChem CID 19537660) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
PubChem CID19537660
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
SMILESCc1ccnn1CCCNC(=O)C(C)n1cc(Br)cn1
InChIInChI=1S/C13H18BrN5O/c1-10-4-6-16-18(10)7-3-5-15-13(20)11(2)19-9-12(14)8-17-19/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,15,20)
InChIKeyZFYMXUGYQYOAAN-UHFFFAOYSA-N
XLogP1.92
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19537675
2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19535537
2-(4-bromopyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19537627
2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294693
2-(5-methyl-4-nitropyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19539197
1-[1-[3-(4-bromopyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505060
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide
CID 19551441
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
4-bromo-1,3-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 19480499
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19537511
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide (CID 19537660) is 2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide is Cc1ccnn1CCCNC(=O)C(C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The InChIKey is ZFYMXUGYQYOAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-10-4-6-16-18(10)7-3-5-15-13(20)11(2)19-9-12(14)8-17-19/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,15,20).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide has a molecular weight of 340.23 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide is sourced from PubChem (CID 19537660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).