AE24987
104771-35-9 | 5-Chloro-1-(pyridin-2-yl)-1h-pyrazole-4-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE24987
ChemicalName
5-Chloro-1-(pyridin-2-yl)-1h-pyrazole-4-carbonitrile
CasNumber
104771-35-9
MolecularFormula
C9H5ClN4
MolecularWeight
204.6158
MdlNumber
MFCD17168530
Smiles
N#Cc1cnn(c1Cl)c1ccccn1
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AE24987
ChemicalName: 5-Chloro-1-(pyridin-2-yl)-1h-pyrazole-4-carbonitrile
CasNumber: 104771-35-9
MolecularFormula: C9H5ClN4
MolecularWeight: 204.6158
MdlNumber: MFCD17168530
Smiles: N#Cc1cnn(c1Cl)c1ccccn1
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AE24987
ChemicalName:
5-Chloro-1-(pyridin-2-yl)-1h-pyrazole-4-carbonitrile
CasNumber:
104771-35-9
MolecularFormula:
C9H5ClN4
MolecularWeight:
204.6158
MdlNumber:
MFCD17168530
Smiles:
N#Cc1cnn(c1Cl)c1ccccn1
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.8
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Smiles: CCOC(=O)c1ccc(cc1)c1ccc(cc1)C
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
CCOC(=O)c1ccc(cc1)c1ccc(cc1)C
Complexity:
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Smiles: CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.C(C(C(C(C(C=O)N)O)O)O)O.C(C(C(C(C(C=O)N)O)O)O)O
Complexity: __
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Smiles:
CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.C(C(C(C(C(C=O)N)O)O)O)O.C(C(C(C(C(C=O)N)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: CCCCCCCCCCCCCCCCCCOC(=O)c1ccncc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCCCCCCCCCCCCCCCOC(=O)c1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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