Basic information
- CAS
957301-89-2- Standard SMILES
CCCn1ccc(C(=O)O)n1- InChIKey
PAOWDTSRDBLTFW-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- 1-propyl-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-propylpyrazole-3-carboxylic acid
- English name
- 1-PROPYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
1-Propyl-1H-pyrazole-3-carboxylic acid957301-89-2RefChem:77186856-339-71-propylpyrazole-3-carboxylic acidMFCD049701911-Propyl-1 H -pyrazole-3-carboxylic acid1H-pyrazole-3-carboxylic acid, 1-propyl-1-Propyl-1H-pyrazole-3-carboxylicacidSCHEMBL167425PAOWDTSRDBLTFW-UHFFFAOYSA-NDTXSID701284713
Show more names
BAS 13528097AKOS B021135AKOS PAO-0697ART-CHEM-BB B021135TIMTEC-BB SBB0095551-Propyl-1H-pyrazol-3-carboxylic acid1-PROPYL-1 H-PYRAZOLE-3-CARBOXYLIC ACID
HMS1701G07ALBB-021514SBB009555AKOS000302379LS-06464CS-0207382ST50295977G30867
Database identifiers
- CAS
957301-89-2- PubChem CID
- 6485387
- DTXSID
DTXSID701284713- EC Number
- 856-339-7
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 315.1 · 315.1±15.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 4.04 · 4.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1-Propyl-1H-pyrazole-3-carboxylic acid is used as a reactant in the preparation of quinoline carboxamide compounds as Axl inhibitors for treating hyperproliferative disorders.
Suppliers5 total
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
成都效佳科技有限公司15902830537 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
上海源香科生物科技有限公司13248186658 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
1 records
Compound notes
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