2-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetohydrazide
Basic information
- CAS
1001518-94-0- Standard SMILES
NNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1- InChIKey
DUHLWLNYIOTVQH-UHFFFAOYSA-N- Molecular formula
- C9H10ClF3N4O
- Average molar mass
- 282.65 g/mol
- Monoisotopic mass
- 282.0495231
Names & identifiers
- Preferred name
- 2-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetohydrazide
- IUPAC
- 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
- English name
- 2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetohydrazide
- Molecular formula
- C9H10ClF3N4O
- Molecular weight
- 282.65
Names & synonyms
1001518-94-02-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetohydrazide2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetohydrazide2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazideMFCD03419743DTXSID8011383572-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazolyl]acetohydrazideSBB020519STK312220AKOS000308365CS-0286890EN300-228427
Show more names
1H-Pyrazole-1-acetic acid, 4-chloro-5-cyclopropyl-3-(trifluoromethyl)-, hydrazide
4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid hydrazide
Database identifiers
- CAS
1001518-94-0- PubChem CID
- 7018508
- DTXSID
DTXSID801138357
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 420.4 · 420.4±45.0 °C(Predicted)
- Density
- 1.78 · 1.78±0.1 g/cm3(Predicted)
- pka
- 12.08 · 12.08±0.18(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
- HS Code
- 2933199090 · 2933199090
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
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330
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Related reactions
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Compound notes
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