3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide

C17H22BrN3O — CID 19564662

IUPAC3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)Cn1cc(Br)cn1)c1ccc(C)cc1
InChIInChI=1S/C17H22BrN3O/c1-4-16(14-7-5-12(2)6-8-14)20-17(22)13(3)10-21-11-15(18)9-19-21/h5-9,11,13,16H,4,10H2,1-3H3,(H,20,22)
InChIKeyHENUHAXKBOSSRK-UHFFFAOYSA-N
MW364.29 g/mol
LogP3.86
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide

3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide (PubChem CID 19564662) has the molecular formula C17H22BrN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
PubChem CID19564662
Molecular FormulaC17H22BrN3O
Molecular Weight364.29 g/mol
Exact Mass363.09
IUPAC Name3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)Cn1cc(Br)cn1)c1ccc(C)cc1
InChIInChI=1S/C17H22BrN3O/c1-4-16(14-7-5-12(2)6-8-14)20-17(22)13(3)10-21-11-15(18)9-19-21/h5-9,11,13,16H,4,10H2,1-3H3,(H,20,22)
InChIKeyHENUHAXKBOSSRK-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19537559
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
(2R)-3-(4-bromopyrazol-1-yl)-N-[2-(diethylamino)ethyl]-2-methylpropanamide
CID 39735322
N'-[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]-1-ethylpyrazole-4-carbohydrazide
CID 4773742
2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19584605
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 51391219
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 19564609
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide (CID 19564662) is 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide is CCC(NC(=O)C(C)Cn1cc(Br)cn1)c1ccc(C)cc1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide?
The InChIKey is HENUHAXKBOSSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O/c1-4-16(14-7-5-12(2)6-8-14)20-17(22)13(3)10-21-11-15(18)9-19-21/h5-9,11,13,16H,4,10H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide?
3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide has a molecular weight of 364.29 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 19564662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).