2-(3-Carbamoyl-4-iodo-1H-pyrazol-1-yl)acetic acid
Basic information
- CAS
1354706-04-9- Standard SMILES
NC(=O)c1nn(CC(=O)O)cc1I- InChIKey
VZIPYILPEQRIMI-UHFFFAOYSA-N- Molecular formula
- C6H6IN3O3
- Average molar mass
- 295.03 g/mol
- Monoisotopic mass
- 294.94539
Names & identifiers
- Preferred name
- 2-(3-Carbamoyl-4-iodo-1H-pyrazol-1-yl)acetic acid
- IUPAC
- 2-(3-carbamoyl-4-iodopyrazol-1-yl)acetic acid
Names & synonyms
1354706-04-92-(3-Carbamoyl-4-iodo-1H-pyrazol-1-yl)acetic acidMFCD24539603(3-carbamoyl-4-iodo-1H-pyrazol-1-yl)acetic acid2-(3-Carbamoyl-4-iodo-1H-pyrazol-1-yl)aceticacidC6H6IN3O3DTXSID101217948SBB074122AKOS0159209932-(3-carbamoyl-4-iodopyrazolyl)acetic acidCS-03376452-(3-carbamoyl-4-iodo-pyrazol-1-yl)acetic acid
Show more names
[3-(Aminocarbonyl)-4-iodo-1H-pyrazol-1-yl]acetic acid1H-Pyrazole-1-acetic acid, 3-(aminocarbonyl)-4-iodo-
Database identifiers
- CAS
1354706-04-9- PubChem CID
- 60136735
- DTXSID
DTXSID101217948
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 235
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Compound notes
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