3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid

C5H6IN3O3 — CID 166803607

IUPAC3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid
SMILESCON(I)c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C5H6IN3O3/c1-12-9(6)4-2-3(5(10)11)7-8-4/h2H,1H3,(H,7,8)(H,10,11)
InChIKeyNJFCUOIWCSTDDV-UHFFFAOYSA-N
MW283.03 g/mol
LogP0.83
Rot. Bonds3

About 3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid

3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 166803607) has the molecular formula C5H6IN3O3 and a molecular weight of 283.03 g/mol. Its IUPAC name is 3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID166803607
Molecular FormulaC5H6IN3O3
Molecular Weight283.03 g/mol
Exact Mass282.95
IUPAC Name3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid
SMILESCON(I)c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C5H6IN3O3/c1-12-9(6)4-2-3(5(10)11)7-8-4/h2H,1H3,(H,7,8)(H,10,11)
InChIKeyNJFCUOIWCSTDDV-UHFFFAOYSA-N
XLogP0.83
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.03
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Nitro-1H-pyrazole-3-carboxylic acid
CID 86222684
Ethyl 5-nitro-1H-pyrazole-3-carboxylate
CID 86222906
methyl 3-nitro-1H-pyrazole-5-carboxylate
CID 135452337
ethyl 5-amino-1H-pyrazole-3-carboxylate
CID 4321844
Methyl 5-amino-1H-pyrazole-3-carboxylate
CID 18445864
3-amino-1H-pyrazole-5-carboxylic acid
CID 543072
5-iodo-1H-pyrazole-3-carboxylic acid
CID 70889951
3-fluoro-1H-pyrazole-5-carboxylic acid
CID 130299149
3-amino-1H-pyrazole-5-carboxylic acid hydrochloride
CID 16640632
3-borono-1H-pyrazole-5-carboxylic acid
CID 289200
Ethyl 5-azido-1h-pyrazole-3-carboxylate
CID 145994941
3-(trifluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528666

Frequently Asked Questions

What is the IUPAC name of 3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid (CID 166803607) is 3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid is CON(I)c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is NJFCUOIWCSTDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O3/c1-12-9(6)4-2-3(5(10)11)7-8-4/h2H,1H3,(H,7,8)(H,10,11).
What are the key properties of 3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid?
3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 283.03 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[iodo(methoxy)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 166803607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).