AB27724
251658-58-9 | Ethyl 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB27724
ChemicalName
Ethyl 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylate
CasNumber
251658-58-9
MolecularFormula
C11H11N3O2
MolecularWeight
217.2239
MdlNumber
MFCD08690166
Smiles
CCOC(=O)c1n[nH]c(c1)c1cccnc1
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.4
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CatalogNumber: AB27724
ChemicalName: Ethyl 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylate
CasNumber: 251658-58-9
MolecularFormula: C11H11N3O2
MolecularWeight: 217.2239
MdlNumber: MFCD08690166
Smiles: CCOC(=O)c1n[nH]c(c1)c1cccnc1
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AB27724
ChemicalName:
Ethyl 3-(pyridin-3-yl)-1H-pyrazole-5-carboxylate
CasNumber:
251658-58-9
MolecularFormula:
C11H11N3O2
MolecularWeight:
217.2239
MdlNumber:
MFCD08690166
Smiles:
CCOC(=O)c1n[nH]c(c1)c1cccnc1
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: __
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Smiles: [O-][N+](=O)c1ccc(cc1)n1nc(cc1N)C(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
[O-][N+](=O)c1ccc(cc1)n1nc(cc1N)C(C)(C)C
Complexity:
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Smiles: NC(=O)c1cccc(c1C)C(F)(F)F
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Smiles:
NC(=O)c1cccc(c1C)C(F)(F)F
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: BrCc1ccc(o1)Br
Complexity: __
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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:
BrCc1ccc(o1)Br
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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