2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide

C18H24BrClN4O — CID 110278378

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
SMILESCc1nn(CC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c(C)c1Br
InChIInChI=1S/C18H24BrClN4O/c1-12-18(19)13(2)24(22-12)11-17(25)21-16(9-10-23(3)4)14-5-7-15(20)8-6-14/h5-8,16H,9-11H2,1-4H3,(H,21,25)
InChIKeyBLNUGUYXVFCXEU-UHFFFAOYSA-N
MW427.77 g/mol
LogP3.73
Rot. Bonds7

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide (PubChem CID 110278378) has the molecular formula C18H24BrClN4O and a molecular weight of 427.77 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
PubChem CID110278378
Molecular FormulaC18H24BrClN4O
Molecular Weight427.77 g/mol
Exact Mass426.08
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
SMILESCc1nn(CC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c(C)c1Br
InChIInChI=1S/C18H24BrClN4O/c1-12-18(19)13(2)24(22-12)11-17(25)21-16(9-10-23(3)4)14-5-7-15(20)8-6-14/h5-8,16H,9-11H2,1-4H3,(H,21,25)
InChIKeyBLNUGUYXVFCXEU-UHFFFAOYSA-N
XLogP3.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110278380
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19525503
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-phenylpropyl)acetamide
CID 19525500
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]furan-2-carboxamide
CID 110281612
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278509
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide
CID 110278624
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19525421
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75358387
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 19525429

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide (CID 110278378) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide is Cc1nn(CC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide?
The InChIKey is BLNUGUYXVFCXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrClN4O/c1-12-18(19)13(2)24(22-12)11-17(25)21-16(9-10-23(3)4)14-5-7-15(20)8-6-14/h5-8,16H,9-11H2,1-4H3,(H,21,25).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide has a molecular weight of 427.77 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 110278378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).