AB68830
657428-42-7 | 4,6-Dihydro-1h-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB68830
ChemicalName
4,6-Dihydro-1h-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester
CasNumber
657428-42-7
MolecularFormula
C10H15N3O2
MolecularWeight
209.245
MdlNumber
MFCD08061257
Smiles
O=C(N1Cc2c(C1)cn[nH]2)OC(C)(C)C
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AB68830
ChemicalName: 4,6-Dihydro-1h-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester
CasNumber: 657428-42-7
MolecularFormula: C10H15N3O2
MolecularWeight: 209.245
MdlNumber: MFCD08061257
Smiles: O=C(N1Cc2c(C1)cn[nH]2)OC(C)(C)C
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB68830
ChemicalName:
4,6-Dihydro-1h-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester
CasNumber:
657428-42-7
MolecularFormula:
C10H15N3O2
MolecularWeight:
209.245
MdlNumber:
MFCD08061257
Smiles:
O=C(N1Cc2c(C1)cn[nH]2)OC(C)(C)C
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.5
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Smiles: COc1ccc(cc1)Cn1c(Br)ccc1C(=O)O
Complexity: __
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Smiles:
COc1ccc(cc1)Cn1c(Br)ccc1C(=O)O
Complexity:
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Smiles: Brc1ccc2c(c1)ccn2[Si](C(C)(C)C)(C)C
Complexity: 284
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Smiles:
Brc1ccc2c(c1)ccn2[Si](C(C)(C)C)(C)C
Complexity:
284
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: BrC1(c2ccccc2)C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Complexity: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
BrC1(c2ccccc2)C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__