4-methyl-1-(pyrrolidin-3-yl)-1H-pyrazole
Basic information
- CAS
1247682-09-2- Standard SMILES
Cc1cnn(C2CCNC2)c1- InChIKey
NXDPGCYRUPUNMK-UHFFFAOYSA-N- Molecular formula
- C8H13N3
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.11094743
Names & identifiers
- Preferred name
- 4-methyl-1-(pyrrolidin-3-yl)-1H-pyrazole
- IUPAC
- 4-methyl-1-pyrrolidin-3-ylpyrazole
- English name
- 4-methyl-1-(pyrrolidin-3-yl)-1H-pyrazole
- Molecular formula
- C8H13N3
- Molecular weight
- 151.21
Names & synonyms
4-methyl-1-(pyrrolidin-3-yl)-1H-pyrazole1247682-09-2RefChem:524931830-309-34-methyl-1-pyrrolidin-3-ylpyrazoleSCHEMBL16814134XZB68209AKOS011614000EN300-217581Z9759159461H-Pyrazole, 4-methyl-1-(3-pyrrolidinyl)-
Database identifiers
- CAS
1247682-09-2- PubChem CID
- 62329635
- EC Number
- 830-309-3
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Boiling point
- 272.5 · 272.5±33.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 9.58 · 9.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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