AI30249
1330765-10-0 | tert-Butyl 3-(hydroxymethyl)-1-isopropyl-4,5-dihydro-1h-pyrazolo[3,4-c]pyridine-6(7h)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI30249
ChemicalName
tert-Butyl 3-(hydroxymethyl)-1-isopropyl-4,5-dihydro-1h-pyrazolo[3,4-c]pyridine-6(7h)-carboxylate
CasNumber
1330765-10-0
MolecularFormula
C15H25N3O3
MolecularWeight
295.3773
MdlNumber
MFCD20231198
Smiles
OCc1nn(c2c1CCN(C2)C(=O)OC(C)(C)C)C(C)C
Complexity
381
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.8
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CatalogNumber: AI30249
ChemicalName: tert-Butyl 3-(hydroxymethyl)-1-isopropyl-4,5-dihydro-1h-pyrazolo[3,4-c]pyridine-6(7h)-carboxylate
CasNumber: 1330765-10-0
MolecularFormula: C15H25N3O3
MolecularWeight: 295.3773
MdlNumber: MFCD20231198
Smiles: OCc1nn(c2c1CCN(C2)C(=O)OC(C)(C)C)C(C)C
Complexity: 381
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.8
CatalogNumber:
AI30249
ChemicalName:
tert-Butyl 3-(hydroxymethyl)-1-isopropyl-4,5-dihydro-1h-pyrazolo[3,4-c]pyridine-6(7h)-carboxylate
CasNumber:
1330765-10-0
MolecularFormula:
C15H25N3O3
MolecularWeight:
295.3773
MdlNumber:
MFCD20231198
Smiles:
OCc1nn(c2c1CCN(C2)C(=O)OC(C)(C)C)C(C)C
Complexity:
381
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1COC2(C1)CCN(CC2)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
OCC1COC2(C1)CCN(CC2)C
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(N1CCCc2c(C1)[nH]nc2OS(=O)(=O)C(F)(F)F)OC(C)(C)C
Complexity: 600
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
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Smiles:
O=C(N1CCCc2c(C1)[nH]nc2OS(=O)(=O)C(F)(F)F)OC(C)(C)C
Complexity:
600
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
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Smiles: NC1CCC21CN(C2)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NC1CCC21CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__