1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
Basic information
- CAS
91331-86-1- Standard SMILES
COc1ccc(-n2nc(C)cc2N)cc1- InChIKey
YQSZHCXCUDINAM-UHFFFAOYSA-N- Molecular formula
- C11H13N3O
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.10586205
Names & identifiers
- Preferred name
- 1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
- IUPAC
- 2-(4-methoxyphenyl)-5-methylpyrazol-3-amine
- English name
- 1-(4-Methoxyphenyl)-3-methyl-1H-pyrazol-5-ylamine
- Molecular formula
- C11H13N3O
- Molecular weight
- 203.24
Names & synonyms
91331-86-11-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-ylamine2-(4-methoxyphenyl)-5-methylpyrazol-3-amineMFCD020915412-(4-Methoxy-phenyl)-5-methyl-2H-pyrazol-3-ylamine2-(4-methoxyphenyl)-5-methyl-pyrazol-3-amine1H-pyrazol-5-amine, 1-(4-methoxyphenyl)-3-methyl-, hydrochloride1-(4-methoxyphenyl)-3-methylpyrazole-5-ylamineF3375-2004MLS000718544CHEMBL1572671
Show more names
AKOS B030085BUTTPARK 30\03-87CHEMBRDG-BB 4009552TIMTEC-BB SBB0110612-(4-methoxyphenyl)-5-methyl-3-pyrazolamine[2-(4-methoxyphenyl)-5-methyl-pyrazol-3-yl]amine1H-pyrazol-5-amine, 1-(4-methoxyphenyl)-3-methyl-
SCHEMBL11323614DTXSID10408977YQSZHCXCUDINAM-UHFFFAOYSA-NHMS1697M07HMS2698L05ALBB-012544SBB011061STK234825
Database identifiers
- CAS
91331-86-1- PubChem CID
- 5155686
- DTXSID
DTXSID10408977- ChEMBL
CHEMBL1572671
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- 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
- wgk
- 3
- hs_code
- 2933199090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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