N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide

C15H17BrN4O2 — CID 19570101

IUPACN-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCn2ncc(Br)c2C)cc1
InChIInChI=1S/C15H17BrN4O2/c1-10-14(16)9-17-20(10)8-7-15(22)19-13-5-3-12(4-6-13)18-11(2)21/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCROZVVIDABGYCY-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.94
Rot. Bonds5

About N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide

N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide (PubChem CID 19570101) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
PubChem CID19570101
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC NameN-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCn2ncc(Br)c2C)cc1
InChIInChI=1S/C15H17BrN4O2/c1-10-14(16)9-17-20(10)8-7-15(22)19-13-5-3-12(4-6-13)18-11(2)21/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCROZVVIDABGYCY-UHFFFAOYSA-N
XLogP2.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 19570193
N-[3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19541604
3-(4-bromo-5-methylpyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide
CID 19570156
3-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)propanamide
CID 19570173
N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19286226
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19347272
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411218
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19402044
N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559886
N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552009
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19346593
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19541580

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide (CID 19570101) is N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide is CC(=O)Nc1ccc(NC(=O)CCn2ncc(Br)c2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide?
The InChIKey is CROZVVIDABGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-10-14(16)9-17-20(10)8-7-15(22)19-13-5-3-12(4-6-13)18-11(2)21/h3-6,9H,7-8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide?
N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide has a molecular weight of 365.23 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19570101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).