AI40708
1820685-21-9 | Ethyl 6-methyl-4-oxo-5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI40708
ChemicalName
Ethyl 6-methyl-4-oxo-5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CasNumber
1820685-21-9
MolecularFormula
C10H13N3O3
MolecularWeight
223.2285
MdlNumber
MFCD28143963
Smiles
CCOC(=O)c1nn2c(c1)C(=O)NC(C2)C
Complexity
308
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AI40708
ChemicalName: Ethyl 6-methyl-4-oxo-5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CasNumber: 1820685-21-9
MolecularFormula: C10H13N3O3
MolecularWeight: 223.2285
MdlNumber: MFCD28143963
Smiles: CCOC(=O)c1nn2c(c1)C(=O)NC(C2)C
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AI40708
ChemicalName:
Ethyl 6-methyl-4-oxo-5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CasNumber:
1820685-21-9
MolecularFormula:
C10H13N3O3
MolecularWeight:
223.2285
MdlNumber:
MFCD28143963
Smiles:
CCOC(=O)c1nn2c(c1)C(=O)NC(C2)C
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1cn2c(n1)ccc(c2)Br)OCc1ccccc1
Complexity: 363
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1cn2c(n1)ccc(c2)Br)OCc1ccccc1
Complexity:
363
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.9
CatalogNumber: AI40712
ChemicalName: Ethyl 7-bromo-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CasNumber: 1820685-82-2
MolecularFormula: C12H11BrN2O3
MolecularWeight: 311.1313
MdlNumber: MFCD28369601
Smiles: CCOC(=O)c1cnc2n(c1=O)cc(cc2C)Br
Complexity: 544
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AI40712
ChemicalName:
Ethyl 7-bromo-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CasNumber:
1820685-82-2
MolecularFormula:
C12H11BrN2O3
MolecularWeight:
311.1313
MdlNumber:
MFCD28369601
Smiles:
CCOC(=O)c1cnc2n(c1=O)cc(cc2C)Br
Complexity:
544
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccnc1O.Cl
Complexity: 182
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccnc1O.Cl
Complexity:
182
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__