3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride

C5H7ClIN3O2 — CID 102565500

IUPAC3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride
SMILESCl.Cn1nc(N)c(I)c1C(=O)O
InChIInChI=1S/C5H6IN3O2.ClH/c1-9-3(5(10)11)2(6)4(7)8-9;/h1H3,(H2,7,8)(H,10,11);1H
InChIKeySOVYPIBETDRTFK-UHFFFAOYSA-N
MW303.49 g/mol
LogP0.73
Rot. Bonds1

About 3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride

3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride (PubChem CID 102565500) has the molecular formula C5H7ClIN3O2 and a molecular weight of 303.49 g/mol. Its IUPAC name is 3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride
PubChem CID102565500
Molecular FormulaC5H7ClIN3O2
Molecular Weight303.49 g/mol
Exact Mass302.93
IUPAC Name3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride
SMILESCl.Cn1nc(N)c(I)c1C(=O)O
InChIInChI=1S/C5H6IN3O2.ClH/c1-9-3(5(10)11)2(6)4(7)8-9;/h1H3,(H2,7,8)(H,10,11);1H
InChIKeySOVYPIBETDRTFK-UHFFFAOYSA-N
XLogP0.73
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride (CID 102565500) is 3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride is Cl.Cn1nc(N)c(I)c1C(=O)O.
What is the InChIKey of 3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride?
The InChIKey is SOVYPIBETDRTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O2.ClH/c1-9-3(5(10)11)2(6)4(7)8-9;/h1H3,(H2,7,8)(H,10,11);1H.
What are the key properties of 3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride?
3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride has a molecular weight of 303.49 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 102565500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).