AI57782
863504-84-1 | tert-Butyl 3-amino-1h-pyrazole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI57782
ChemicalName
tert-Butyl 3-amino-1h-pyrazole-1-carboxylate
CasNumber
863504-84-1
MolecularFormula
C8H13N3O2
MolecularWeight
183.2077
MdlNumber
MFCD13194910
Smiles
O=C(n1ccc(n1)N)OC(C)(C)C
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AI57782
ChemicalName: tert-Butyl 3-amino-1h-pyrazole-1-carboxylate
CasNumber: 863504-84-1
MolecularFormula: C8H13N3O2
MolecularWeight: 183.2077
MdlNumber: MFCD13194910
Smiles: O=C(n1ccc(n1)N)OC(C)(C)C
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AI57782
ChemicalName:
tert-Butyl 3-amino-1h-pyrazole-1-carboxylate
CasNumber:
863504-84-1
MolecularFormula:
C8H13N3O2
MolecularWeight:
183.2077
MdlNumber:
MFCD13194910
Smiles:
O=C(n1ccc(n1)N)OC(C)(C)C
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
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Smiles: COc1cc(C)c2c(c1C1CCCC1)[nH]c(=O)nc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cc(C)c2c(c1C1CCCC1)[nH]c(=O)nc2
Complexity:
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HeavyAtomCount:
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Smiles: COC(=O)c1nc2c([nH]1)ccc(c2)N.Cl
Complexity: __
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Smiles:
COC(=O)c1nc2c([nH]1)ccc(c2)N.Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC(C1CCN(CC1)C(=O)OCc1ccccc1)N
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(C1CCN(CC1)C(=O)OCc1ccccc1)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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