2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide

C11H10BrIN4O — CID 114258348

IUPAC2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide
SMILESNc1cnn(CC(=O)Nc2ccc(Br)c(I)c2)c1
InChIInChI=1S/C11H10BrIN4O/c12-9-2-1-8(3-10(9)13)16-11(18)6-17-5-7(14)4-15-17/h1-5H,6,14H2,(H,16,18)
InChIKeyDHPMEMIFSMBGKG-UHFFFAOYSA-N
MW421.04 g/mol
LogP2.47
Rot. Bonds3

About 2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide

2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide (PubChem CID 114258348) has the molecular formula C11H10BrIN4O and a molecular weight of 421.04 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide
PubChem CID114258348
Molecular FormulaC11H10BrIN4O
Molecular Weight421.04 g/mol
Exact Mass419.91
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide
SMILESNc1cnn(CC(=O)Nc2ccc(Br)c(I)c2)c1
InChIInChI=1S/C11H10BrIN4O/c12-9-2-1-8(3-10(9)13)16-11(18)6-17-5-7(14)4-15-17/h1-5H,6,14H2,(H,16,18)
InChIKeyDHPMEMIFSMBGKG-UHFFFAOYSA-N
XLogP2.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.04
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-naphthalen-2-ylacetamide
CID 61118519
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
2-(4-aminopyrazol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 61117825
2-(4-aminopyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 43445342
2-(4-aminopyrazol-1-yl)-N-(2-bromo-4-chlorophenyl)acetamide
CID 81262636
2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 43445480
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82857864
N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872125
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-iodo-4-methylphenyl)acetamide
CID 114256852
2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107363404

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide (CID 114258348) is 2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide is Nc1cnn(CC(=O)Nc2ccc(Br)c(I)c2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide?
The InChIKey is DHPMEMIFSMBGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrIN4O/c12-9-2-1-8(3-10(9)13)16-11(18)6-17-5-7(14)4-15-17/h1-5H,6,14H2,(H,16,18).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide has a molecular weight of 421.04 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide is sourced from PubChem (CID 114258348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).