AA59140
138907-68-3 | Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA59140
ChemicalName
Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate
CasNumber
138907-68-3
MolecularFormula
C12H12FN3O2
MolecularWeight
249.241
MdlNumber
MFCD00173917
Smiles
CCOC(=O)c1cnn(c1N)c1ccc(cc1)F
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AA59140
ChemicalName: Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate
CasNumber: 138907-68-3
MolecularFormula: C12H12FN3O2
MolecularWeight: 249.241
MdlNumber: MFCD00173917
Smiles: CCOC(=O)c1cnn(c1N)c1ccc(cc1)F
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AA59140
ChemicalName:
Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate
CasNumber:
138907-68-3
MolecularFormula:
C12H12FN3O2
MolecularWeight:
249.241
MdlNumber:
MFCD00173917
Smiles:
CCOC(=O)c1cnn(c1N)c1ccc(cc1)F
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.4
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Smiles: CNCc1c(CO)cnc(c1O)C
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Smiles:
CNCc1c(CO)cnc(c1O)C
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Smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)OCc1ccccc1)N1C(=O)c2c(C1=O)cccc2
Complexity: __
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Smiles:
OC[C@H]1O[C@@H](Oc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)OCc1ccccc1)N1C(=O)c2c(C1=O)cccc2
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Smiles: COc1ccc(cc1)O[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)O)c1ccccc1
Complexity: __
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Smiles:
COc1ccc(cc1)O[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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