Methyl 4-amino-1H-pyrazole-5-carboxylate
Basic information
- CAS
360056-45-7- Standard SMILES
COC(=O)c1[nH]ncc1N- InChIKey
UYWFTIKDUFKYJS-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382648
Names & identifiers
- Preferred name
- Methyl 4-amino-1H-pyrazole-5-carboxylate
- IUPAC
- methyl 4-amino-1H-pyrazole-5-carboxylate
- English name
- 1H-Pyrazole-3-carboxylicacid,4-amino-,methylester(9CI)
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13
Names & synonyms
360056-45-7methyl 4-amino-1H-pyrazole-5-carboxylateRefChem:816109821-849-0Methyl 4-amino-1H-pyrazole-3-carboxylate1119471-86-1methyl 4-aminopyrazole-3-carboxylateMFCD026467371H-PYRAZOLE-3-CARBOXYLIC ACID, 4-AMINO-, METHYL ESTERMFCD099535711H-pyrazole-5-carboxylic acid, 4-amino-, methyl ester, hydrochloride4-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Show more names
Methyl 4-aMino-1H-pyrazol...4-amino-1H-pyrazole-3-methyl carboxylate4-Aminopyrazole-3-carboxylic acid methyl ester1H-Pyrazole-3-carboxylicacid,4-aMino-,Methylester1H-Pyrazole-3-carboxylicacid,4-amino-,methylester(9CI)
SCHEMBL546639SCHEMBL21643603ALBB-014009CS-M2526BBL009119SBB005597STK353743AKOS001741290
Database identifiers
- CAS
360056-45-7- PubChem CID
- 723083
- EC Number
- 821-849-0
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 348 · 348.0±22.0 °C(Predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 14.74 · 14.74±0.50(Predicted)
- Appearance
- Brown to black Solid
- InChI
- InChI=1S/C5H7N3O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,6H2,1H3,(H,7,8)
- InChIKey
- UYWFTIKDUFKYJS-UHFFFAOYSA-N
- SMILES
- N1C=C(N)C(C(OC)=O)=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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