AI60799
909187-64-0 | 6-Benzyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one
Manufacturer: A2B Chem
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CatalogNumber
AI60799
ChemicalName
6-Benzyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one
CasNumber
909187-64-0
MolecularFormula
C13H15N3O
MolecularWeight
229.2777
MdlNumber
MFCD11521565
Smiles
O=c1[nH][nH]c2c1CCN(C2)Cc1ccccc1
Complexity
345
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AI60799
ChemicalName: 6-Benzyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one
CasNumber: 909187-64-0
MolecularFormula: C13H15N3O
MolecularWeight: 229.2777
MdlNumber: MFCD11521565
Smiles: O=c1[nH][nH]c2c1CCN(C2)Cc1ccccc1
Complexity: 345
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AI60799
ChemicalName:
6-Benzyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridin-3-one
CasNumber:
909187-64-0
MolecularFormula:
C13H15N3O
MolecularWeight:
229.2777
MdlNumber:
MFCD11521565
Smiles:
O=c1[nH][nH]c2c1CCN(C2)Cc1ccccc1
Complexity:
345
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AI60801
ChemicalName: 6-Methyl-2,3-dihydro-1h-inden-1-one oxime
CasNumber: 90921-43-0
MolecularFormula: C10H11NO
MolecularWeight: 161.2004
MdlNumber: MFCD24237884
Smiles: ON=C1CCc2c1cc(C)cc2
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AI60801
ChemicalName:
6-Methyl-2,3-dihydro-1h-inden-1-one oxime
CasNumber:
90921-43-0
MolecularFormula:
C10H11NO
MolecularWeight:
161.2004
MdlNumber:
MFCD24237884
Smiles:
ON=C1CCc2c1cc(C)cc2
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC1Oc2ccccc2NC1=O
Complexity: 205
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC1Oc2ccccc2NC1=O
Complexity:
205
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1[N+](=O)[O-])C(=O)C)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1[N+](=O)[O-])C(=O)C)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__