5-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine
Basic information
- CAS
3524-43-4- Standard SMILES
Cc1cc(N)n(C2CCN(C)CC2)n1- InChIKey
NNBQKNVCHRPVFE-UHFFFAOYSA-N- Molecular formula
- C10H18N4
- Average molar mass
- 194.28 g/mol
- Monoisotopic mass
- 194.15314659
Names & identifiers
- Preferred name
- 5-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine
- IUPAC
- 5-methyl-2-(1-methylpiperidin-4-yl)pyrazol-3-amine
- English name
- 5-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine
- Molecular formula
- C10H18N4
- Molecular weight
- 194.28
Names & synonyms
3524-43-45-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine3-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-5-amine5-methyl-2-(1-methylpiperidin-4-yl)pyrazol-3-amineMLS000068202SCHEMBL1695005CHEMBL14708593-Methyl-1-(1-methyl-4-piperidinyl)-1H-pyrazol-5-amineNNBQKNVCHRPVFE-UHFFFAOYSA-NHMS1695N12HMS2316C03DAA52443
Show more names
1H-Pyrazol-5-amine, 3-methyl-1-(1-methyl-4-piperidinyl)-
MFCD03627790SBB303297AKOS000300351SB42155SMR000013435SY131341DB-306759CS-0229897
Database identifiers
- CAS
3524-43-4- PubChem CID
- 646883
- ChEMBL
CHEMBL1470859
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 343.2 · 343.2±42.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 8.56 · 8.56±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- 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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Related reactions
2 records
Compound notes
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