Basic information
- CAS
67221-50-5- Standard SMILES
NC(=O)c1[nH]ncc1N- InChIKey
JVXDFTZWKFHULK-UHFFFAOYSA-N- Molecular formula
- C4H6N4O
- Average molar mass
- 126.12 g/mol
- Monoisotopic mass
- 126.05416083
Names & identifiers
- Preferred name
- 4-amino-1H-pyrazole-5-carboxamide
- IUPAC
- 4-amino-1H-pyrazole-5-carboxamide
- English name
- 1H-Pyrazole-3-carboxamide,4-amino-(9CI)
- Molecular formula
- C4H6N4O
- Molecular weight
- 126.12
Names & synonyms
4-Amino-1H-pyrazole-5-carboxamide67221-50-5RefChem:517508860-854-2MFCD026467404-amino-1h-pyrazole-3-carboxylic acid amideCHEMBL16882054-amino-1h-pyrazole-3-carboxamide4-amino-2H-pyrazole-3-carboxamide4-aminopyrazole-5-carboxamide1H-pyrazole-5-carboxamide, 4-amino-, dihydrochloride1h-pyrazole-5-carboxamide, 4-amino-
Show more names
4-Aminopyrazole-3-carboxamide1H-Pyrazole-3-carboxamide, 4-amino-4-amino-1H-pyrazole-5-carboxamide(SALTDATA: 1HCl)4-amino-1H-pyrazole-5-carboxamide dihydrochloride4-aMino-1H-pyrazole-5-carboxaMide hydrochloride (SALTDATA: HCl)
4-amino-4H-pyrazole-3-carboxamide1H-Pyrazole-3-carboxamide,4-amino-(9CI)4-amino-3-carbamoylpyrazoleOprea1_165018SCHEMBL956225SCHEMBL2155849Pyrazole-5-carboxamide, 4-amino-ALBB-013991
Database identifiers
- CAS
67221-50-5- PubChem CID
- 580973
- ChEMBL
CHEMBL1688205- EC Number
- 860-854-2
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 454.289 · 454.289±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.539 · 1.539±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- 15.391 · 15.391±0.50(predicted)
- Appearance
- Off-white to gray Solid
- InChI
- InChI=1S/C4H6N4O/c5-2-1-7-8-3(2)4(6)9/h1H,5H2,(H2,6,9)(H,7,8)
- InChIKey
- JVXDFTZWKFHULK-UHFFFAOYSA-N
- SMILES
- N1C=C(N)C(C(N)=O)=N1
- UNSPSC Code
- 12352111 · 12352111
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H410
- Precautionary statements
- 264 · P264-P273-P280-P337+P313-P391-P501
- WGK Germany
- 3 · WGK 3
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, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 1Eye Irrit. 2
- Precautionary statements
- P264-P273-P280-P337+P313-P391-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers34 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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