3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide

C20H19BrN4O2 — CID 112823910

IUPAC3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(-n2cccn2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4O2/c1-14(26)23-19(15-3-5-16(21)6-4-15)13-20(27)24-17-7-9-18(10-8-17)25-12-2-11-22-25/h2-12,19H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyFQTAFZXKKGUPMT-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.84
Rot. Bonds6

About 3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide

3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide (PubChem CID 112823910) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide
PubChem CID112823910
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(-n2cccn2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4O2/c1-14(26)23-19(15-3-5-16(21)6-4-15)13-20(27)24-17-7-9-18(10-8-17)25-12-2-11-22-25/h2-12,19H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyFQTAFZXKKGUPMT-UHFFFAOYSA-N
XLogP3.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46469513
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CID 55980228
4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide
CID 112826384
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide
CID 120562018

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide (CID 112823910) is 3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1ccc(-n2cccn2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide?
The InChIKey is FQTAFZXKKGUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c1-14(26)23-19(15-3-5-16(21)6-4-15)13-20(27)24-17-7-9-18(10-8-17)25-12-2-11-22-25/h2-12,19H,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide?
3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide has a molecular weight of 427.30 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 112823910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).