Basic information
- CAS
1820-80-0- Standard SMILES
Nc1ccn[nH]1- InChIKey
JVVRJMXHNUAPHW-UHFFFAOYSA-N- Molecular formula
- C3H5N3
- Average molar mass
- 83.09 g/mol
- Monoisotopic mass
- 83.04834716
Names & identifiers
- Preferred name
- Pyrazol-3-ylamine
- IUPAC
- 1H-pyrazol-5-amine
- English name
- 3-Aminopyrazole
- Molecular formula
- C3H5N3
- Molecular weight
- 83.09
Names & synonyms
916420-28-55-Amino-1H-pyrazolePyrazol-3-ylamineEINECS 217-338-1NSC 76122DTXSID00171229RefChem:870463DTXCID4093720217-338-1640-606-83-Aminopyrazole1H-pyrazol-5-amine
Show more names
3-Bromo-2-chloropyridine-4-carboxylic acid1H-PYRAZOL-3-YLAMINE3(5)-AminopyrazoleINDIP-021AKOS B0073313-PYRAZOLAMINE3-AMINOPYRAZOL
1820-80-01H-Pyrazol-3-amine1H-Pyrazole-5-amine1225387-53-02H-pyrazol-3-ylamine3-Amino-1H-pyrazoleaminopyrazole5-aminopyrazole
Database identifiers
- CAS
1820-80-0、916420-28-5- PubChem CID
- 74561
- DTXSID
DTXSID00171229- ChEMBL
CHEMBL3217770- UNII
- BTB7URA7K8
- EC Number
- 217-338-1、640-606-8
- Nikkaji
- J379.488A、J80.324C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 45.3
Physicochemical properties
- Melting point
- 34 · 34-37 °C (lit.)
- Boiling point
- 218 °C/122 · 218 °C/122 mmHg (lit.)
- Density
- 1.0248 · 1.0248 (rough estimate)
- refractive index
- 1.506 · 1.5060 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- soluble in Methanol
- pka
- 15.28 · 15.28±0.10(Predicted)
- form
- Oily Liquid or Crystalline Low Melting Solid
- color
- White to light yellow
- Sensitive
- Air & Light Sensitive
- BRN
- 1618 · 1618
- InChI
- 1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)
- InChIKey
- JVVRJMXHNUAPHW-UHFFFAOYSA-N
- SMILES
- Nc1cc[nH]n1
- CAS DataBase Reference
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
This chemical does not meet GHS hazard criteria for 2.5% (2 of 80) of reports.
Danger
H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 80 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory InformationStatus: Active Update: 01-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22354
Hazard Classes and CategoriesAcute Tox. 4 (93.8%)
Safety data
- F
- 8-10-23
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3263 8/PG 2
- hs_code
- 29331990
- risk_code
- 22-34-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-27
- hazard_class
Chemistry & industry
Applications
Uses3-Aminopyrazole is used in the preparation of heterocyclic compounds of pharamaceutical interest
UsesEmployed in a one-pot synthesis of pyrazolopyrimidines.1
Uses3-Aminopyrazole was used in the spectroscopic characterization of ferrocenoyl peptides via 1H-NMR spectroscopy. It was also used in the synthesis of:symmetrical dialkylpyrazolo[1,5-a]pyrimidines via condensation with symmetrical β-diketones3,4-annelated coumarinsheterocyclic compounds of pharmaceutical interestpyrazolopyrimidines
General Description3-Aminopyrazole is a heteroarylamine.
Upstream & downstream products
Downstream products
Related reactions
65 records
Compound notes
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