5-Amino-3-methyl-4-phenylpyrazole
Basic information
- CAS
31924-81-9- Standard SMILES
Cc1[nH]nc(N)c1-c1ccccc1- InChIKey
UMDNRKCXSUJMCY-UHFFFAOYSA-N- Molecular formula
- C10H11N3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.09529736
Names & identifiers
- Preferred name
- 5-Amino-3-methyl-4-phenylpyrazole
- IUPAC
- 5-methyl-4-phenyl-1H-pyrazol-3-amine
- English name
- 5-METHYL-4-PHENYL-2H-PYRAZOL-3-YLAMINE
- Molecular formula
- C10H11N3
- Molecular weight
- 173.21
Names & synonyms
3-Methyl-4-phenyl-1H-pyrazol-5-amine31924-81-95-methyl-4-phenyl-1H-pyrazol-3-amine5-amino-3-methyl-4-phenylpyrazole1H-Pyrazol-3-amine, 5-methyl-4-phenyl-Pyrazole, 5-amino-3-methyl-4-phenyl-OC0W48DG01Pyrazole, 3(OR 5)-amino-5(OR 3)-methyl-4-phenyl-RefChem:532286830-830-660419-81-05-Methyl-4-phenyl-2H-pyrazol-3-ylamine
Show more names
AKOS 231-04AKOS B035598ASISCHEM C58483TIMTEC-BB SBB010561CHEMBRDG-BB 4004588IFLAB-BB F0912-0735ASINEX-REAG BAS 16576928
5-methyl-4-phenyl-2H-pyrazol-3-amine3-Amino-5-Methyl-4-PhenylpyrazoleMFCD008319553-methyl-4-phenylpyrazole-5-ylamineUNII-OC0W48DG011H-Pyrazol-5-amine,3-methyl-4-phenyl-5-Methyl-4-phenyl-1H-pyrazole-3-ylamineA1ISY
Database identifiers
- CAS
31924-81-9、60419-81-0- PubChem CID
- 599501
- DTXSID
DTXSID80975823- ChEMBL
CHEMBL1609052- UNII
- OC0W48DG01
- EC Number
- 671-534-5、830-830-6
- Nikkaji
- J2.034.658B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
Solubility18.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 140 · 140-141°C
- CAS DataBase Reference
- 60419 · 60419-81-0(CAS DataBase Reference)
- FDA UNII
- 0 W48DG01 · OC0W48DG01
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302-H312-H332
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Skin Irrit. 2 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H315-H302-H312-H332
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses5-Methyl-4-phenyl-2H-pyrazol-3-ylamine can be used to diagnose and treat cardiovascular diseases and conditions.
Suppliers
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Related reactions
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Compound notes
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