1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid
Basic information
- CAS
925606-80-0- Standard SMILES
CCn1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)cn1- InChIKey
GBTQIHRPSAXJKG-UHFFFAOYSA-N- Molecular formula
- C11H17N3O4S
- Average molar mass
- 287.34 g/mol
Names & identifiers
- Preferred name
- 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid
- IUPAC
- 1-(1-ethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
- English name
- 1-(1-Ethyl-1 H-pyrazole-4-sulfonyl)-piperidine-4-carboxylic acid
- Molecular formula
- C11H17N3O4S
- Molecular weight
- 287.34
Names & synonyms
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid925606-80-01-(1-ethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acidMFCD067405381-((1-Ethyl-1H-pyrazol-4-yl)sulfonyl)piperidine-4-carboxylic acidHMS1700J03ALBB-003619BBL016271SBB009712STK3502091-[(1-ETHYL-1H-PYRAZOL-4-YL)SULFONYL]-4-PIPERIDINECARBOXYLIC ACIDAKOS000302271
Show more names
AKOS B024910ART-CHEM-BB B024910TIMTEC-BB SBB0097121-(1-Ethyl-1 H-pyrazole-4-sulfonyl)-piperidine-4-carboxylic acid4-Piperidinecarboxylic acid, 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-
VS-05247CS-0240848EN300-230280H22973Z15319556441-[(1-ethylpyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid
Database identifiers
- CAS
925606-80-0
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Boiling point
- 512 · 512.0±60.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 4.33 · 4.33±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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Compound notes
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