AA17177
1169563-99-8 | tert-Butyl 4-(3-amino-1h-pyrazol-5-yl)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA17177
ChemicalName
tert-Butyl 4-(3-amino-1h-pyrazol-5-yl)piperidine-1-carboxylate
CasNumber
1169563-99-8
MolecularFormula
C13H22N4O2
MolecularWeight
266.3394
MdlNumber
MFCD16618570
Smiles
O=C(N1CCC(CC1)c1n[nH]c(c1)N)OC(C)(C)C
Complexity
321
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AA17177
ChemicalName: tert-Butyl 4-(3-amino-1h-pyrazol-5-yl)piperidine-1-carboxylate
CasNumber: 1169563-99-8
MolecularFormula: C13H22N4O2
MolecularWeight: 266.3394
MdlNumber: MFCD16618570
Smiles: O=C(N1CCC(CC1)c1n[nH]c(c1)N)OC(C)(C)C
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AA17177
ChemicalName:
tert-Butyl 4-(3-amino-1h-pyrazol-5-yl)piperidine-1-carboxylate
CasNumber:
1169563-99-8
MolecularFormula:
C13H22N4O2
MolecularWeight:
266.3394
MdlNumber:
MFCD16618570
Smiles:
O=C(N1CCC(CC1)c1n[nH]c(c1)N)OC(C)(C)C
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AA17178
ChemicalName: 4,7-Dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid
CasNumber: 1169491-14-8
MolecularFormula: C8H8O3S
MolecularWeight: 184.2123
MdlNumber: MFCD17016073
Smiles: OC(=O)c1csc2c1CCOC2
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AA17178
ChemicalName:
4,7-Dihydro-5h-thieno[2,3-c]pyran-3-carboxylic acid
CasNumber:
1169491-14-8
MolecularFormula:
C8H8O3S
MolecularWeight:
184.2123
MdlNumber:
MFCD17016073
Smiles:
OC(=O)c1csc2c1CCOC2
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
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Smiles: CCOC(=O)c1csc2c1CCOC2
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CCOC(=O)c1csc2c1CCOC2
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Smiles: COc1cc2-c3c(CCc2cc1OC)cc(c(c3OC)OC)O
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Smiles:
COc1cc2-c3c(CCc2cc1OC)cc(c(c3OC)OC)O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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