AG81540
59541-46-7 | Ethyl 3-amino-5-(methylthio)-1H-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG81540
ChemicalName
Ethyl 3-amino-5-(methylthio)-1H-pyrazole-4-carboxylate
CasNumber
59541-46-7
MolecularFormula
C7H11N3O2S
MolecularWeight
201.24613999999997
MdlNumber
MFCD01108198
Smiles
CCOC(=O)c1c(SC)[nH]nc1N
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AG81540
ChemicalName: Ethyl 3-amino-5-(methylthio)-1H-pyrazole-4-carboxylate
CasNumber: 59541-46-7
MolecularFormula: C7H11N3O2S
MolecularWeight: 201.24613999999997
MdlNumber: MFCD01108198
Smiles: CCOC(=O)c1c(SC)[nH]nc1N
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AG81540
ChemicalName:
Ethyl 3-amino-5-(methylthio)-1H-pyrazole-4-carboxylate
CasNumber:
59541-46-7
MolecularFormula:
C7H11N3O2S
MolecularWeight:
201.24613999999997
MdlNumber:
MFCD01108198
Smiles:
CCOC(=O)c1c(SC)[nH]nc1N
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCc2c1c(O)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NC1CCc2c1c(O)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)CCC(=O)c1ccc(cc1)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)CCC(=O)c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(Nc1cccc(c1)NC(=O)OC(C)(C)C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1cccc(c1)NC(=O)OC(C)(C)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__