Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
Basic information
- CAS
1053656-37-3- Standard SMILES
COC(=O)c1cnn2c(Cl)cc(Cl)nc12- InChIKey
LCMDZGZZFUIKJQ-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2N3O2
- Average molar mass
- 246.05 g/mol
- Monoisotopic mass
- 244.9758818
Names & identifiers
- Preferred name
- Methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
- IUPAC
- methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
- English name
- Ethyl 5,7-dichloropyrazolo[1,5-A]pyrimidine-3-carboxylate
- Molecular formula
- C9H7Cl2N3O2
- Molecular weight
- 260.08
Names & synonyms
methyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate1053656-37-3MFCD10566316Methyl5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylateSCHEMBL25117799DTXSID70916624SC2461AKOS015851306GS-6341SY006769DB-059351CS-0061817
Show more names
ethyl 5,7-dichloropyrazolo[1,5-a]pyriMidine-3-carboxylate5-a]pyriMidine-3-carboxylate5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester5,7-dichloro-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl esterPyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5,7-dichloro-, ethyl estePyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5,7-dichloro-, ethyl esterMETHYL 5,7-DICHLOROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE 940284-55-9 EETHYL 5,7-DICHLOROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE CAS：940284-55-9
F093237Methyl 7,5-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylatemethyl 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate, 1053656-37-3, 940284-55-9, AG-H-86357, CTK5H4692, ANW-48463, SC2461, ZINC30678383, AKOS015851306, RP09250, RP28728, AK-27617, BR-27617, EN002022, KB-54518, FT-0646742, FT-0685582, X8756, A844791, Methyl5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carboxylate
Database identifiers
- CAS
1053656-37-3、940284-55-9- PubChem CID
- 37819002
- DTXSID
DTXSID70916624
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -3.1 · -3.10±0.40(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C9H7Cl2N3O2/c1-2-16-9(15)5-4-12-14-7(11)3-6(10)13-8(5)14/h3-4H,2H2,1H3
- InChIKey
- JDTUBXNZVFYLQV-UHFFFAOYSA-N
- SMILES
- C12=C(C(OCC)=O)C=NN1C(Cl)=CC(Cl)=N2
Chemistry & industry
Applications
UsesEthyl 5,7-dichloropyrazolo[1,5-A]pyrimidine-3-carboxylate is a pharmaceutical intermediate that can be used to prepare Tyk2 inhibitors.
Upstream & downstream products
Upstream raw materials
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