AF88574
39806-89-8 | 4-Ethynyl-1-methyl-1H-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AF88574
ChemicalName
4-Ethynyl-1-methyl-1H-pyrazole
CasNumber
39806-89-8
MolecularFormula
C6H6N2
MolecularWeight
106.1252
MdlNumber
MFCD17281917
Smiles
C#Cc1cnn(c1)C
Complexity
122
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AF88574
ChemicalName: 4-Ethynyl-1-methyl-1H-pyrazole
CasNumber: 39806-89-8
MolecularFormula: C6H6N2
MolecularWeight: 106.1252
MdlNumber: MFCD17281917
Smiles: C#Cc1cnn(c1)C
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AF88574
ChemicalName:
4-Ethynyl-1-methyl-1H-pyrazole
CasNumber:
39806-89-8
MolecularFormula:
C6H6N2
MolecularWeight:
106.1252
MdlNumber:
MFCD17281917
Smiles:
C#Cc1cnn(c1)C
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1nc(C)cc2c1[nH]c1c2cccc1
Complexity: 253
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCc1nc(C)cc2c1[nH]c1c2cccc1
Complexity:
253
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCC(=O)N[C@H](C(=O)O)Cc1c[nH]cn1
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:
NCCCC(=O)N[C@H](C(=O)O)Cc1c[nH]cn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(OC)cccc1C(=O)N1CCN(CC1)C(=O)COc1cccc(c1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(OC)cccc1C(=O)N1CCN(CC1)C(=O)COc1cccc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__