AE28615
1056024-38-4 | tert-Butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE28615
ChemicalName
tert-Butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
CasNumber
1056024-38-4
MolecularFormula
C12H18N4O4
MolecularWeight
282.2957
MdlNumber
MFCD14155812
Smiles
O=C(N1CCC(C1)n1ncc(c1)[N+](=O)[O-])OC(C)(C)C
Complexity
390
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AE28615
ChemicalName: tert-Butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
CasNumber: 1056024-38-4
MolecularFormula: C12H18N4O4
MolecularWeight: 282.2957
MdlNumber: MFCD14155812
Smiles: O=C(N1CCC(C1)n1ncc(c1)[N+](=O)[O-])OC(C)(C)C
Complexity: 390
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AE28615
ChemicalName:
tert-Butyl 3-(4-nitro-1H-pyrazol-1-yl)pyrrolidine-1-carboxylate
CasNumber:
1056024-38-4
MolecularFormula:
C12H18N4O4
MolecularWeight:
282.2957
MdlNumber:
MFCD14155812
Smiles:
O=C(N1CCC(C1)n1ncc(c1)[N+](=O)[O-])OC(C)(C)C
Complexity:
390
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: AE28616
ChemicalName: tert-Butyl 4-[2-amino-4-(methoxycarbonyl)-phenylamino]piperidine-1-carboxylate
CasNumber: 1037833-90-1
MolecularFormula: C18H27N3O4
MolecularWeight: 349.4247
MdlNumber: MFCD11974917
Smiles: COC(=O)c1ccc(c(c1)N)NC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 469
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
AE28616
ChemicalName:
tert-Butyl 4-[2-amino-4-(methoxycarbonyl)-phenylamino]piperidine-1-carboxylate
CasNumber:
1037833-90-1
MolecularFormula:
C18H27N3O4
MolecularWeight:
349.4247
MdlNumber:
MFCD11974917
Smiles:
COC(=O)c1ccc(c(c1)N)NC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
469
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: AE28617
ChemicalName: tert-Butyl 4-(3-nitropyridin-4-ylamino)piperidine-1-carboxylate
CasNumber: 1067718-07-3
MolecularFormula: C15H22N4O4
MolecularWeight: 322.3596
MdlNumber: MFCD11974918
Smiles: O=C(N1CCC(CC1)Nc1ccncc1[N+](=O)[O-])OC(C)(C)C
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 2.7
CatalogNumber:
AE28617
ChemicalName:
tert-Butyl 4-(3-nitropyridin-4-ylamino)piperidine-1-carboxylate
CasNumber:
1067718-07-3
MolecularFormula:
C15H22N4O4
MolecularWeight:
322.3596
MdlNumber:
MFCD11974918
Smiles:
O=C(N1CCC(CC1)Nc1ccncc1[N+](=O)[O-])OC(C)(C)C
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__