2-(5-methylpyrazol-1-yl)acetyl iodide

C6H7IN2O — CID 146992843

IUPAC2-(5-methylpyrazol-1-yl)acetyl iodide
SMILESCc1ccnn1CC(=O)I
InChIInChI=1S/C6H7IN2O/c1-5-2-3-8-9(5)4-6(7)10/h2-3H,4H2,1H3
InChIKeyAQNMMECYAZJMFZ-UHFFFAOYSA-N
MW250.04 g/mol
LogP1.15
Rot. Bonds2

About 2-(5-methylpyrazol-1-yl)acetyl iodide

2-(5-methylpyrazol-1-yl)acetyl iodide (PubChem CID 146992843) has the molecular formula C6H7IN2O and a molecular weight of 250.04 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)acetyl iodide.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)acetyl iodide
PubChem CID146992843
Molecular FormulaC6H7IN2O
Molecular Weight250.04 g/mol
Exact Mass249.96
IUPAC Name2-(5-methylpyrazol-1-yl)acetyl iodide
SMILESCc1ccnn1CC(=O)I
InChIInChI=1S/C6H7IN2O/c1-5-2-3-8-9(5)4-6(7)10/h2-3H,4H2,1H3
InChIKeyAQNMMECYAZJMFZ-UHFFFAOYSA-N
XLogP1.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-methylpyrazol-1-yl)acetyl iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
1H-Pyrazole, 1,3-dimethyl-
CID 79096
1,5-Dimethylpyrazole
CID 136502
N-Hydroxymethyl-3-methylpyrazole
CID 127159
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400
1-(3-Iodoprop-2-ynyl)-5-methyl-pyrazole
CID 497106
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
3-(5-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4712135
2-(3-methyl-1H-pyrazol-1-yl)acetic acid
CID 5012329
1-(2-bromoethyl)-5-methyl-1H-pyrazole
CID 64467554
(5-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 66971903
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)acetyl iodide?
The IUPAC name of 2-(5-methylpyrazol-1-yl)acetyl iodide (CID 146992843) is 2-(5-methylpyrazol-1-yl)acetyl iodide.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)acetyl iodide?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)acetyl iodide is Cc1ccnn1CC(=O)I.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)acetyl iodide?
The InChIKey is AQNMMECYAZJMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O/c1-5-2-3-8-9(5)4-6(7)10/h2-3H,4H2,1H3.
What are the key properties of 2-(5-methylpyrazol-1-yl)acetyl iodide?
2-(5-methylpyrazol-1-yl)acetyl iodide has a molecular weight of 250.04 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)acetyl iodide is sourced from PubChem (CID 146992843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).