Basic information
- CAS
223518-72-7- Standard SMILES
Cc1ccc(-n2nc(-c3ccc(N)cc3)cc2N)cc1- InChIKey
MFTHPFSYPRDVIT-UHFFFAOYSA-N- Molecular formula
- C16H16N4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13749653
Names & identifiers
- Preferred name
- 5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine
- IUPAC
- 3-(4-aminophenyl)-1-(4-methylphenyl)pyrazol-5-amine
- English name
- 5-AMINO-3-(4-AMINOPHENYL)-1-(P-TOLYL)PYRAZOLE
- Molecular formula
- C16H16N4
- Molecular weight
- 264.33
Names & synonyms
5-(4-Amino-phenyl)-2-p-tolyl-2H-pyrazol-3-ylamine223518-72-75-(4-aminophenyl)-2-(4-methylphenyl)pyrazol-3-amine3-(4-Aminophenyl)-1-(p-tolyl)-1H-pyrazol-5-amine3-(4-aminophenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amineSMR0000925031-(4-tolyl)-3-(4-aminophenyl)-5-aminopyrazoleOprea1_363944Oprea1_426045CBDivE_015745MLS000115378SCHEMBL6582639
Show more names
3-(4-Aminophenyl)-1-tosyl-1H-pyrazol-5-amine5-AMINO-3-(4-AMINOPHENYL)-1-(P-TOLYL)PYRAZOLE1H-Pyrazol-5-amine, 3-(4-aminophenyl)-1-(4-methylphenyl)-
CHEMBL1502856MFTHPFSYPRDVIT-UHFFFAOYSA-NHMS2246L16SBB300441AKOS000301321CCG-118239ST50009099AG-690/34154014
Database identifiers
- CAS
223518-72-7- PubChem CID
- 786192
- ChEMBL
CHEMBL1502856
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 502.7 · 502.7±50.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 3.84 · 3.84±0.10(Predicted)
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
江苏乾宇分子科技有限公司18136353590; 18136353590 · [email protected]
Related reactions
4 records
Compound notes
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