AI55010
689250-54-2 | 5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AI55010
ChemicalName
5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CasNumber
689250-54-2
MolecularFormula
C12H12N2O2
MolecularWeight
216.2359
MdlNumber
MFCD11983444
Smiles
COc1ccc(cc1)c1c(C=O)cnn1C
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AI55010
ChemicalName: 5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CasNumber: 689250-54-2
MolecularFormula: C12H12N2O2
MolecularWeight: 216.2359
MdlNumber: MFCD11983444
Smiles: COc1ccc(cc1)c1c(C=O)cnn1C
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AI55010
ChemicalName:
5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CasNumber:
689250-54-2
MolecularFormula:
C12H12N2O2
MolecularWeight:
216.2359
MdlNumber:
MFCD11983444
Smiles:
COc1ccc(cc1)c1c(C=O)cnn1C
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cncn1c1ccc(cc1)F
Complexity: 267
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.3
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:
CCOC(=O)c1cncn1c1ccc(cc1)F
Complexity:
267
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC1=C(C)/C/2=C/c3[nH]c(c(c3CC)C)/C=C/3N=C(/C=c/4[nH]c(=CC1=N2)c(C)c4CCC(=O)O)C(=C3C)CCC(=O)O.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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:
CCC1=C(C)/C/2=C/c3[nH]c(c(c3CC)C)/C=C/3N=C(/C=c/4[nH]c(=CC1=N2)c(C)c4CCC(=O)O)C(=C3C)CCC(=O)O.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c([nH]c2c1cccc2)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1c([nH]c2c1cccc2)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__