3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
Basic information
- CAS
4394-28-9- Standard SMILES
Cc1cc(N)n(Cc2cccs2)n1- InChIKey
FOEIWTDMPBFADW-UHFFFAOYSA-N- Molecular formula
- C9H11N3S
- Average molar mass
- 193.27 g/mol
- Monoisotopic mass
- 193.06736854
Names & identifiers
- Preferred name
- 3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
- IUPAC
- 5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine
- English name
- 5-Methyl-2-thiophen-2-ylmethyl-2H-pyrazol-3-ylamine
- Molecular formula
- C9H11N3S
- Molecular weight
- 193.27
Names & synonyms
4394-28-93-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amineRefChem:2806085-Methyl-2-thiophen-2-ylmethyl-2H-pyrazol-3-ylamine3-Methyl-1-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine5-methyl-2-(thiophen-2-ylmethyl)pyrazol-3-amine3-methyl-1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-amineMLS000718616CHEMBL1319529DTXSID601241174HMS2670H19AKOS000300169
Show more names
ASINEX-REAG BAS 065020591H-Pyrazol-5-amine, 3-methyl-1-(2-thienylmethyl)-
SMR000290884CS-0282762ST502802475-methyl-2-(2-thienylmethyl)pyrazol-3-amineEN300-2246263-methyl-1-(2-thienylmethyl)pyrazole-5-ylamine
Database identifiers
- CAS
4394-28-9- PubChem CID
- 3154161
- DTXSID
DTXSID601241174- ChEMBL
CHEMBL1319529
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
Solubility23.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- 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
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…