AE18977
1029721-02-5 | 4-Oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE18977
ChemicalName
4-Oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber
1029721-02-5
MolecularFormula
C7H7N3O3
MolecularWeight
181.1488
MdlNumber
MFCD11044795
Smiles
OC(=O)c1nn2c(c1)C(=O)NCC2
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.6
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CatalogNumber: AE18977
ChemicalName: 4-Oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber: 1029721-02-5
MolecularFormula: C7H7N3O3
MolecularWeight: 181.1488
MdlNumber: MFCD11044795
Smiles: OC(=O)c1nn2c(c1)C(=O)NCC2
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.6
CatalogNumber:
AE18977
ChemicalName:
4-Oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber:
1029721-02-5
MolecularFormula:
C7H7N3O3
MolecularWeight:
181.1488
MdlNumber:
MFCD11044795
Smiles:
OC(=O)c1nn2c(c1)C(=O)NCC2
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OCC1COCC(=O)N1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCC1COCC(=O)N1
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: COc1cccc2c1CCNC2
Complexity: __
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Smiles:
COc1cccc2c1CCNC2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: COC(=O)C1(C)CCCNC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)C1(C)CCCNC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__