AA45362
129476-61-5 | N-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1h-pyrazol-4-yl)-2,2,2-trifluoroacetamide
Manufacturer: A2B Chem
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CatalogNumber
AA45362
ChemicalName
N-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1h-pyrazol-4-yl)-2,2,2-trifluoroacetamide
CasNumber
129476-61-5
MolecularFormula
C13H12F3N3O2
MolecularWeight
299.2485
MdlNumber
MFCD00574858
Smiles
O=C(C(F)(F)F)Nc1c(C)n(n(c1=O)c1ccccc1)C
Complexity
482
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AA45362
ChemicalName: N-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1h-pyrazol-4-yl)-2,2,2-trifluoroacetamide
CasNumber: 129476-61-5
MolecularFormula: C13H12F3N3O2
MolecularWeight: 299.2485
MdlNumber: MFCD00574858
Smiles: O=C(C(F)(F)F)Nc1c(C)n(n(c1=O)c1ccccc1)C
Complexity: 482
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AA45362
ChemicalName:
N-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1h-pyrazol-4-yl)-2,2,2-trifluoroacetamide
CasNumber:
129476-61-5
MolecularFormula:
C13H12F3N3O2
MolecularWeight:
299.2485
MdlNumber:
MFCD00574858
Smiles:
O=C(C(F)(F)F)Nc1c(C)n(n(c1=O)c1ccccc1)C
Complexity:
482
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AA45368
ChemicalName: 2-(Benzyloxy)-4-fluoro-1-nitrobenzene
CasNumber: 129464-01-3
MolecularFormula: C13H10FNO3
MolecularWeight: 247.22180320000007
MdlNumber: MFCD20441777
Smiles: Fc1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-]
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AA45368
ChemicalName:
2-(Benzyloxy)-4-fluoro-1-nitrobenzene
CasNumber:
129464-01-3
MolecularFormula:
C13H10FNO3
MolecularWeight:
247.22180320000007
MdlNumber:
MFCD20441777
Smiles:
Fc1ccc(c(c1)OCc1ccccc1)[N+](=O)[O-]
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)OCC(C[C@]([C@@H]([C@@H](C=O)O)O)([C@@H](CO)O)O)NC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)OCC(C[C@]([C@@H]([C@@H](C=O)O)O)([C@@H](CO)O)O)NC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA45371
ChemicalName: Fmoc-Asp-OtBu
CasNumber: 129460-09-9
MolecularFormula: C23H25NO6
MolecularWeight: 411.4477
MdlNumber: MFCD00065631
Smiles: OC(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 620
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 3.5
CatalogNumber:
AA45371
ChemicalName:
Fmoc-Asp-OtBu
CasNumber:
129460-09-9
MolecularFormula:
C23H25NO6
MolecularWeight:
411.4477
MdlNumber:
MFCD00065631
Smiles:
OC(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
620
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
3.5