[3-cyclopropyl-5-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid
Basic information
- CAS
1001519-25-0- Standard SMILES
O=C(O)Cn1nc(C2CC2)cc1C(F)F- InChIKey
GBBLFSIRMZHIRY-UHFFFAOYSA-N- Molecular formula
- C9H10F2N2O2
- Average molar mass
- 216.18 g/mol
- Monoisotopic mass
- 216.07103389
Names & identifiers
- Preferred name
- [3-cyclopropyl-5-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid
- IUPAC
- 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic acid
- English name
- [3-Cyclopropyl-5-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid
- Molecular formula
- C9H10F2N2O2
- Molecular weight
- 216.18
Names & synonyms
1001519-25-0[3-cyclopropyl-5-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid2-(3-Cyclopropyl-5-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid2-[3-cyclopropyl-5-(difluoromethyl)-1H-pyrazol-1-yl]acetic acidMFCD058617202-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetic Acid(3-Cyclopropyl-5-difluoromethyl-pyrazol-1-yl)-acetic acid2-[5-(difluoromethyl)-3-cyclopropylpyrazolyl]acetic acidSCHEMBL22655935GBBLFSIRMZHIRY-UHFFFAOYSA-NBQB51925SBB022792
Show more names
1H-Pyrazole-1-acetic acid, 3-cyclopropyl-5-(difluoromethyl)-
AKOS000311312DB-016409DB-379071CS-0264477ST45115057EN300-92869Z12637387633-Cyclopropyl-5-(difluoromethyl)-1H-pyrazole-1-acetic acid
Database identifiers
- CAS
1001519-25-0- PubChem CID
- 7018686
- EC Number
- 876-562-3
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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