Basic information
- CAS
1245558-98-8- Standard SMILES
Cn1nc2c(c1N)CN(C(=O)OC(C)(C)C)CC2- InChIKey
VFCHUPNQALDOKY-UHFFFAOYSA-N- Molecular formula
- C12H20N4O2
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.15862589
Names & identifiers
- Preferred name
- tert-butyl 3-amino-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
- IUPAC
- tert-butyl 3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
- English name
- tert-butyl 3-amino-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
- Molecular formula
- C12H20N4O2
- Molecular weight
- 252.31
Names & synonyms
1245558-98-8tert-butyl 3-amino-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylatetert-Butyl 3-amino-2-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylateMFCD29050604tert-butyl 3-amino-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylateVZB55898AKOS023412023NS-03777EN300-729497G633823-Amino-5-Boc-2-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridinetert-Butyl 3-amino-2-methyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5(4H)- carboxylate
Show more names
tert-butyl3-amino-2-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate5H-Pyrazolo[4,3-c]pyridine-5-carboxylic acid, 3-amino-2,4,6,7-tetrahydro-2-methyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1245558-98-8
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 163 · 163-165 °C
- Boiling point
- 418.6 · 418.6±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 4.4 · 4.40±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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