1H-pyrazol-4-amine

HCID 78035

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 28466-26-4
Standard SMILES: Nc1cn[nH]c1
InChIKey: AXINVSXSGNSVLV-UHFFFAOYSA-N
Molecular formula: C3H5N3
Average molar mass: 83.09 g/mol
Monoisotopic mass: 83.04834717

Names & identifiers

Preferred name: 1H-pyrazol-4-amine
IUPAC: 1H-pyrazol-4-amine
English name: 1H-PYRAZOL-4-YLAMINE
Molecular formula: C3H5N3
Molecular weight: 83.09

Names & synonyms

1H-Pyrazol-4-amine4-Aminopyrazole28466-26-4Pyrazole, 4-amino-BRN 00016191H-Pyrazol-4-amine (9CI)DTXSID90182682RefChem:438906DTXCID30105173625-292-24-Amino-1H-pyrazole1H-PYRAZOL-4-YLAMINE

Show more names

AKOS PAO-0001H-PYRAZOL-4-YLAMINE4-Aminopyrazole 95%1H-Pyrazol-4-amine (9CI, ACI)

MFCD01693729pyrazole-4-ylamine1H-Pyrazole-4-amine4-NH2-pyrazole1-H-pyrazol-4-amine4-Aminopyrazole, 95%1,2-diazolium-4-aminideSCHEMBL165068

Database identifiers

CAS: 28466-26-4
PubChem CID: 78035
DTXSID: DTXSID90182682
EC Number: 625-292-2
Nikkaji: J88.561D

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 45

Physicochemical properties

Melting point: 75 · 75-77°C
Boiling point: 142.17 °C · 142.17°C (rough estimate)
Density: 1.0248 · 1.0248 (rough estimate)
refractive index: 1.506 · 1.5060 (estimate)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: powder to crystal
pka: 17.7 · 17.70±0.50(Predicted)
color: White to Brown to Dark purple
Sensitive: Hygroscopic
InChI: InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)
InChIKey: AXINVSXSGNSVLV-UHFFFAOYSA-N
SMILES: N1C=C(N)C=N1
CAS DataBase Reference: 28466 · 28466-26-4
NIST Chemistry Reference: 4 · 4-NH2-pyrazole(28466-26-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
RTECS: 4993000 · UQ4993000
HazardClass: IRRITANT
HS Code: 2933199090 · 2933199090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
rtecs: UQ4993000
hs_code: 2933199090
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses4-Aminopyrazole, is a versatile building block for the preparation of pharmaceutical and biologically active compounds. 4-Amino-1H-pyrazole, has also shown to have anticonvulsant activity, and thus can be used in the treatment of epileptic seizures.