Basic information
- CAS
96799-04-1- Standard SMILES
COc1cccc(-c2cc(N)n[nH]2)c1- InChIKey
KTRHWGYZQAKQQQ-UHFFFAOYSA-N- Molecular formula
- C10H11N3O
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.09021198
Names & identifiers
- Preferred name
- 5-(3-Methoxyphenyl)-1H-pyrazol-3-amine
- IUPAC
- 5-(3-methoxyphenyl)-1H-pyrazol-3-amine
- English name
- 5-(3-Methoxy-phenyl)-2H-pyrazol-3-ylamine
- Molecular formula
- C10H11N3O
- Molecular weight
- 189.21
Names & synonyms
96799-04-15-(3-methoxyphenyl)-1H-pyrazol-3-amineDTXSID80395880RefChem:299704DTXCID603467395-(3-Methoxyphenyl)-2H-pyrazol-3-ylamine5-(3-Methoxy-phenyl)-2H-pyrazol-3-ylamine3-(3-methoxyphenyl)-1H-pyrazol-5-amine3-Amino-5-(3-methoxyphenyl)-1H-pyrazoleMFCD001227833-(3-methoxyphenyl)pyrazole-5-ylamine1H-Pyrazol-3-amine, 5-(3-methoxyphenyl)-
Show more names
3-(3-Methoxy-phenyl)-2H-pyrazol-3-ylamine[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]amine3-(3-methoxyphenyl)-1H-pyrazol-5-amine 1HClJR-13696, 3-(3-Methoxyphenyl)-1H-pyrazol-5-amine, 96%3-(3-methoxyphenyl)-1H-pyrazol-5-amine(SALTDATA: HCl)
MFCD11519239SCHEMBL1855459CHEMBL4454136SCHEMBL17397952SCHEMBL29071713KTRHWGYZQAKQQQ-UHFFFAOYSA-NALBB-007421SBB018004
Database identifiers
- CAS
96799-04-1- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 456.7 · 456.7±35.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 14.54 · 14.54±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers48 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…