AH54429
852816-12-7 | Ethyl 5-(4-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH54429
ChemicalName
Ethyl 5-(4-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylate
CasNumber
852816-12-7
MolecularFormula
C14H16N2O3
MolecularWeight
260.2884
MdlNumber
MFCD08446235
Smiles
CCOC(=O)c1nn(c(c1)c1ccc(cc1)OC)C
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AH54429
ChemicalName: Ethyl 5-(4-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylate
CasNumber: 852816-12-7
MolecularFormula: C14H16N2O3
MolecularWeight: 260.2884
MdlNumber: MFCD08446235
Smiles: CCOC(=O)c1nn(c(c1)c1ccc(cc1)OC)C
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AH54429
ChemicalName:
Ethyl 5-(4-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylate
CasNumber:
852816-12-7
MolecularFormula:
C14H16N2O3
MolecularWeight:
260.2884
MdlNumber:
MFCD08446235
Smiles:
CCOC(=O)c1nn(c(c1)c1ccc(cc1)OC)C
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
2.4
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Smiles: NNC(=O)c1noc(c1)c1ccc(cc1)CC(C)C
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NNC(=O)c1noc(c1)c1ccc(cc1)CC(C)C
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Smiles: OC(=O)Cc1ccc(cc1)Oc1ccc(cc1)Br
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Smiles:
OC(=O)Cc1ccc(cc1)Oc1ccc(cc1)Br
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COC(=O)c1ccccc1C(=O)c1cc(C)c(c(c1)C)O
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MolecularFormula:
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__
MdlNumber:
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Smiles:
COC(=O)c1ccccc1C(=O)c1cc(C)c(c(c1)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__