AI04824
1000994-24-0 | 5-tert-Butyl 7-ethyl 6,7-dihydro-1h-pyrazolo[4,3-c]pyridine-5,7(4h)-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI04824
ChemicalName
5-tert-Butyl 7-ethyl 6,7-dihydro-1h-pyrazolo[4,3-c]pyridine-5,7(4h)-dicarboxylate
CasNumber
1000994-24-0
MolecularFormula
C14H21N3O4
MolecularWeight
295.33423999999997
MdlNumber
MFCD27997389
Smiles
CCOC(=O)C1CN(Cc2c1n[nH]c2)C(=O)OC(C)(C)C
Complexity
408
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AI04824
ChemicalName: 5-tert-Butyl 7-ethyl 6,7-dihydro-1h-pyrazolo[4,3-c]pyridine-5,7(4h)-dicarboxylate
CasNumber: 1000994-24-0
MolecularFormula: C14H21N3O4
MolecularWeight: 295.33423999999997
MdlNumber: MFCD27997389
Smiles: CCOC(=O)C1CN(Cc2c1n[nH]c2)C(=O)OC(C)(C)C
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AI04824
ChemicalName:
5-tert-Butyl 7-ethyl 6,7-dihydro-1h-pyrazolo[4,3-c]pyridine-5,7(4h)-dicarboxylate
CasNumber:
1000994-24-0
MolecularFormula:
C14H21N3O4
MolecularWeight:
295.33423999999997
MdlNumber:
MFCD27997389
Smiles:
CCOC(=O)C1CN(Cc2c1n[nH]c2)C(=O)OC(C)(C)C
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCN(C(=O)OC(C)(C)C)CC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCN(C(=O)OC(C)(C)C)CC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI04826
ChemicalName: 1-(2,2,2-Trifluoroacetyl)-3-azetidinecarboxylic acid
CasNumber: 1001026-41-0
MolecularFormula: C6H6F3NO3
MolecularWeight: 197.1119
MdlNumber: MFCD22421758
Smiles: O=C(C(F)(F)F)N1CC(C1)C(=O)O
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.1
CatalogNumber:
AI04826
ChemicalName:
1-(2,2,2-Trifluoroacetyl)-3-azetidinecarboxylic acid
CasNumber:
1001026-41-0
MolecularFormula:
C6H6F3NO3
MolecularWeight:
197.1119
MdlNumber:
MFCD22421758
Smiles:
O=C(C(F)(F)F)N1CC(C1)C(=O)O
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)c1ccc(c(c1)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)c1ccc(c(c1)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__