AH15222
718632-46-3 | 5-tert-Butyl 2-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4h,6h)-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH15222
ChemicalName
5-tert-Butyl 2-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4h,6h)-dicarboxylate
CasNumber
718632-46-3
MolecularFormula
C15H24N4O4
MolecularWeight
324.3755
MdlNumber
MFCD20134032
Smiles
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)OC(C)(C)C
Complexity
488
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2
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CatalogNumber: AH15222
ChemicalName: 5-tert-Butyl 2-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4h,6h)-dicarboxylate
CasNumber: 718632-46-3
MolecularFormula: C15H24N4O4
MolecularWeight: 324.3755
MdlNumber: MFCD20134032
Smiles: CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)OC(C)(C)C
Complexity: 488
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AH15222
ChemicalName:
5-tert-Butyl 2-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4h,6h)-dicarboxylate
CasNumber:
718632-46-3
MolecularFormula:
C15H24N4O4
MolecularWeight:
324.3755
MdlNumber:
MFCD20134032
Smiles:
CCOC(=O)n1nc2c(c1N)CN(C2(C)C)C(=O)OC(C)(C)C
Complexity:
488
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2
CatalogNumber: AH15223
ChemicalName: Pyrrolo[3,4-c]pyrazole-5(4h)-carboxylic acid, 3-amino-2,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester
CasNumber: 718632-44-1
MolecularFormula: C12H20N4O2
MolecularWeight: 252.3128
MdlNumber: MFCD12031273
Smiles: O=C(N1Cc2c(C1(C)C)[nH][nH]c2=N)OC(C)(C)C
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AH15223
ChemicalName:
Pyrrolo[3,4-c]pyrazole-5(4h)-carboxylic acid, 3-amino-2,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester
CasNumber:
718632-44-1
MolecularFormula:
C12H20N4O2
MolecularWeight:
252.3128
MdlNumber:
MFCD12031273
Smiles:
O=C(N1Cc2c(C1(C)C)[nH][nH]c2=N)OC(C)(C)C
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.7
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Smiles: Brc1ccc2c(c1)c(Cl)c(cn2)[N+](=O)[O-]
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Brc1ccc2c(c1)c(Cl)c(cn2)[N+](=O)[O-]
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Smiles: COc1ccc(c(c1C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C)F)F
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COc1ccc(c(c1C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C)F)F
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