2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide

C15H18BrN3O — CID 19533359

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
SMILESCc1nn(C(C)C(=O)NC(C)c2ccccc2)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-10(13-7-5-4-6-8-13)17-15(20)12(3)19-9-14(16)11(2)18-19/h4-10,12H,1-3H3,(H,17,20)
InChIKeySVWBLTYOVISKRU-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.39
Rot. Bonds4

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

2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide (PubChem CID 19533359) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
PubChem CID19533359
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
SMILESCc1nn(C(C)C(=O)NC(C)c2ccccc2)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-10(13-7-5-4-6-8-13)17-15(20)12(3)19-9-14(16)11(2)18-19/h4-10,12H,1-3H3,(H,17,20)
InChIKeySVWBLTYOVISKRU-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
CID 17020886
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19533530
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 17020935
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19533979
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopropylpropanamide
CID 19533335
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 19533298
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19528180
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-cyano-1-phenylpyrazol-5-yl)propanamide
CID 19533516
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide
CID 45125859
2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19533179
N-[1-(4-bromophenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 47156459

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide (CID 19533359) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide is Cc1nn(C(C)C(=O)NC(C)c2ccccc2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is SVWBLTYOVISKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10(13-7-5-4-6-8-13)17-15(20)12(3)19-9-14(16)11(2)18-19/h4-10,12H,1-3H3,(H,17,20).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 336.23 g/mol, XLogP of 3.39, 4 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-(1-phenylethyl)propanamide is sourced from PubChem (CID 19533359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).