AD60074
22042-79-1 | 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AD60074
ChemicalName
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CasNumber
22042-79-1
MolecularFormula
C12H12N2O
MolecularWeight
200.2365
MdlNumber
MFCD00051396
Smiles
O=Cc1c(C)nn(c1C)c1ccccc1
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AD60074
ChemicalName: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CasNumber: 22042-79-1
MolecularFormula: C12H12N2O
MolecularWeight: 200.2365
MdlNumber: MFCD00051396
Smiles: O=Cc1c(C)nn(c1C)c1ccccc1
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AD60074
ChemicalName:
3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CasNumber:
22042-79-1
MolecularFormula:
C12H12N2O
MolecularWeight:
200.2365
MdlNumber:
MFCD00051396
Smiles:
O=Cc1c(C)nn(c1C)c1ccccc1
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.4
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Smiles: N#Cc1c(O)sc(c1C)C(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1c(O)sc(c1C)C(=O)C
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=CCc1ncccn1
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=CCc1ncccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CN(CCO[C@@]1(C[C@@H]2C([C@@]1(C)CC2)(C)C)c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(CCO[C@@]1(C[C@@H]2C([C@@]1(C)CC2)(C)C)c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__