Basic information
- CAS
99056-35-6- Standard SMILES
CCOC(=O)c1cnc2cc(C)[nH]n2c1=O- InChIKey
NFRGFILWUWNCOQ-UHFFFAOYSA-N- Molecular formula
- C10H11N3O3
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.08004122
Names & identifiers
- Preferred name
- Ethyl 2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
- English name
- ETHYL 2-METHYL-7-OXO-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
- Molecular formula
- C10H11N3O3
- Molecular weight
- 221.21
Names & synonyms
99056-35-6ethyl 2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylateethyl 2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylateethyl 7-hydroxy-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylateETHYL2-METHYL-7-OXO-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATEMaybridge1_004686Oprea1_327266CHEMBL203223SCHEMBL4611248SCHEMBL13255464HMS554M22DTXSID70371370
Show more names
ETHYL 7-METHYL-1H-PYRAZOLO(1,5-A)PYRIMIDIN-4-OXO-3-CARBOXYLATEethyl 2-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-6-carboxylateethyl 4,7-dihydro-2-methyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl esterPyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-2-methyl-7-oxo-, ethyl ester
HMS1629F15CCG-56107MFCD00067951SBB096124AKOS001871492AKOS015971155CCG-139052PS-4385
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 295 °C · 295 °C
- Boiling point
- 373.6 · 373.6±52.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- -1.6 · -1.60±0.40(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers7 total
宁波振岳医药科技有限公司19817745290 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…