AI37996
1624261-04-6 | Ethyl 1-(5-(methylamino)pyridin-2-yl)-1h-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI37996
ChemicalName
Ethyl 1-(5-(methylamino)pyridin-2-yl)-1h-pyrazole-4-carboxylate
CasNumber
1624261-04-6
MolecularFormula
C12H14N4O2
MolecularWeight
246.2652
MdlNumber
MFCD08703674
Smiles
CCOC(=O)c1cnn(c1)c1ccc(cn1)NC
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.4
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CatalogNumber: AI37996
ChemicalName: Ethyl 1-(5-(methylamino)pyridin-2-yl)-1h-pyrazole-4-carboxylate
CasNumber: 1624261-04-6
MolecularFormula: C12H14N4O2
MolecularWeight: 246.2652
MdlNumber: MFCD08703674
Smiles: CCOC(=O)c1cnn(c1)c1ccc(cn1)NC
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AI37996
ChemicalName:
Ethyl 1-(5-(methylamino)pyridin-2-yl)-1h-pyrazole-4-carboxylate
CasNumber:
1624261-04-6
MolecularFormula:
C12H14N4O2
MolecularWeight:
246.2652
MdlNumber:
MFCD08703674
Smiles:
CCOC(=O)c1cnn(c1)c1ccc(cn1)NC
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.4
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Smiles: CC(N(C(=O)Oc1ccc(nc1)Br)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CC(N(C(=O)Oc1ccc(nc1)Br)C(C)C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: O=C(N1Cc2c(C1)cc(c(c2)Br)[N+](=O)[O-])OC(C)(C)C
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Smiles:
O=C(N1Cc2c(C1)cc(c(c2)Br)[N+](=O)[O-])OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: CN(Cc1c[nH]c2c1NC=CN2)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
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:
CN(Cc1c[nH]c2c1NC=CN2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__