AA69679
142179-08-6 | (1H-Pyrazole-3,5-diyl)dimethanol
Manufacturer: A2B Chem
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CatalogNumber
AA69679
ChemicalName
(1H-Pyrazole-3,5-diyl)dimethanol
CasNumber
142179-08-6
MolecularFormula
C5H8N2O2
MolecularWeight
128.1292
MdlNumber
MFCD03931306
Smiles
OCc1[nH]nc(c1)CO
Complexity
89
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-1.5
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CatalogNumber: AA69679
ChemicalName: (1H-Pyrazole-3,5-diyl)dimethanol
CasNumber: 142179-08-6
MolecularFormula: C5H8N2O2
MolecularWeight: 128.1292
MdlNumber: MFCD03931306
Smiles: OCc1[nH]nc(c1)CO
Complexity: 89
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -1.5
CatalogNumber:
AA69679
ChemicalName:
(1H-Pyrazole-3,5-diyl)dimethanol
CasNumber:
142179-08-6
MolecularFormula:
C5H8N2O2
MolecularWeight:
128.1292
MdlNumber:
MFCD03931306
Smiles:
OCc1[nH]nc(c1)CO
Complexity:
89
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][Cl](=O)(=O)=O.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1c1c2ccc(cc2[o+]c2c1ccc(c2)N(CC)CC)N(CC)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
[O-][Cl](=O)(=O)=O.CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1c1c2ccc(cc2[o+]c2c1ccc(c2)N(CC)CC)N(CC)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(OCC1C2C1CCC#CCC2)NCCOCCOCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OCC1C2C1CCC#CCC2)NCCOCCOCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OCC1C2C1CCC#CCC2)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OCC1C2C1CCC#CCC2)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__